methyl 2-azanyl-4-ethanoylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-ethanoylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 4-acetylsulfanyl-2-amino-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(acetylthio)-2-amino-1H-1,5-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-acetylsulfanyl-2-amino-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(acetylthio)-2-amino-1H-1,5-benzodiazepine-3-carboxylic acid methyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC2=CC=CC=C2NC(=C1C(=O)OC)N

Isomeric SMILES

CC(=O)SC1=NC2=CC=CC=C2NC(=C1C(=O)OC)N

InChI

InChI=1S/C13H13N3O3S/c1-7(17)20-12-10(13(18)19-2)11(14)15-8-5-3-4-6-9(8)16-12/h3-6,15H,14H2,1-2H3