methyl 7-[2-(cyanomethylsulfanyl)ethanoylamino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 7-[2-(cyanomethylsulfanyl)ethanoylamino]-7-methoxy-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(cyanomethylthio)-1-oxoethyl]amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(cyanomethylthio)acetyl]amino]-8-keto-7-methoxy-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)OC

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CSCC#N)OC)SC1)C(=O)OC

InChI

InChI=1S/C14H17N3O5S2/c1-8-6-24-13-14(22-3,16-9(18)7-23-5-4-15)12(20)17(13)10(8)11(19)21-2/h13H,5-7H2,1-3H3,(H,16,18)