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

Systemtic Name: methyl 2-azanyl-4-methylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 2-amino-4-methylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-amino-4-(methylthio)-1H-1,5-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-methylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-amino-4-(methylthio)-1H-1,5-benzodiazepine-3-carboxylic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-17-12(16)9-10(13)14-7-5-3-4-6-8(7)15-11(9)18-2/h3-6,14H,13H2,1-2H3