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

Systemtic Name: ethyl 2-azanyl-4-ethanoylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-acetylsulfanyl-2-amino-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-(acetylthio)-2-amino-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetylsulfanyl-2-amino-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(acetylthio)-2-amino-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1SC(=O)C)N

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1SC(=O)C)N

InChI

InChI=1S/C14H15N3O3S/c1-3-20-14(19)11-12(15)16-9-6-4-5-7-10(9)17-13(11)21-8(2)18/h4-7,16H,3,15H2,1-2H3