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

Systemtic Name: ethyl 2-azanyl-4-ethylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-amino-4-ethylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-amino-4-(ethylthio)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-ethylsulfanyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-amino-4-(ethylthio)-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1SCC)N

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1SCC)N

InChI

InChI=1S/C14H17N3O2S/c1-3-19-14(18)11-12(15)16-9-7-5-6-8-10(9)17-13(11)20-4-2/h5-8,16H,3-4,15H2,1-2H3