3-[[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[1-[2-(dimethylamino)-2-oxo-ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[1-[2-(dimethylamino)-2-oxoethyl]-5-tetrazolyl]thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[1-[2-(dimethylamino)-2-oxoethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[1-[2-(dimethylamino)-2-keto-ethyl]tetrazol-5-yl]thio]methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N7O5S3 MolecularWeight: 523.60894

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C19H21N7O5S3/c1-24(2)13(28)7-25-19(21-22-23-25)34-9-10-8-33-17-14(16(29)26(17)15(10)18(30)31)20-12(27)6-11-4-3-5-32-11/h3-5,14,17H,6-9H2,1-2H3,(H,20,27)(H,30,31)