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

Systemtic Name: methyl 2-azanyl-4-ethylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: methyl 2-amino-4-ethylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-amino-4-(ethylthio)-1H-1,5-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-ethylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-amino-4-(ethylthio)-1H-1,5-benzodiazepine-3-carboxylic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2NC(=C1C(=O)OC)N

Isomeric SMILES

CCSC1=NC2=CC=CC=C2NC(=C1C(=O)OC)N

InChI

InChI=1S/C13H15N3O2S/c1-3-19-12-10(13(17)18-2)11(14)15-8-6-4-5-7-9(8)16-12/h4-7,15H,3,14H2,1-2H3