ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CSC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)CSC3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H20N4O4S/c1-3-29-21(28)19-13(2)23-14-8-4-5-9-15(14)24-20(19)26-18(27)12-31-22-25-16-10-6-7-11-17(16)30-22/h4-11,23H,3,12H2,1-2H3,(H,24,26,27)