1-cyclohexyloxycarbonyloxyethyl 3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[2-(2-formamido-1,3-thiazol-4-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-cyclohexyloxycarbonyloxyethyl 3-[[1-(2-dimethylaminoethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-[2-(2-formamido-1,3-thiazol-4-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-(cyclohexoxycarbonyloxy)ethyl 3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-(2-formamidothiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[[1-(2-dimethylaminoethyl)-5-tetrazolyl]thio]methyl]-7-[[2-(2-formamido-4-thiazolyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-[cyclohexyloxy(oxo)methoxy]ethyl ester IUPAC Name: 1-cyclohexyloxycarbonyloxyethyl 3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-7-[[2-(2-formamido-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[[[1-(2-dimethylaminoethyl)tetrazol-5-yl]thio]methyl]-7-[[2-(2-formamidothiazol-4-yl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(cyclohexoxycarbonyloxy)ethyl ester Formula: C28H37N9O8S3 MolecularWeight: 723.84388

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)NC=O)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5

Isomeric SMILES

CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)NC=O)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5

InChI

InChI=1S/C28H37N9O8S3/c1-16(44-28(42)45-19-7-5-4-6-8-19)43-25(41)22-17(13-48-27-32-33-34-36(27)10-9-35(2)3)12-46-24-21(23(40)37(22)24)31-20(39)11-18-14-47-26(30-18)29-15-38/h14-16,19,21,24H,4-13H2,1-3H3,(H,31,39)(H,29,30,38)