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

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CSC3=NC4=CC=CC=C4S3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CSC3=NC4=CC=CC=C4S3)C(=O)OCC

InChI

InChI=1S/C23H22N4O3S2/c1-3-14-20(22(29)30-4-2)21(25-16-10-6-5-9-15(16)24-14)27-19(28)13-31-23-26-17-11-7-8-12-18(17)32-23/h5-12,24H,3-4,13H2,1-2H3,(H,25,27,28)