methyl 2-(4-phenylbutanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 2-(4-phenylbutanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 2-(4-phenylbutanoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 2-[(1-oxo-4-phenylbutyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-phenylbutanoylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 2-(4-phenylbutanoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1C3=CC=CC=C3CC2)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H23NO3S/c1-28-24(27)22-21-18-12-6-5-11-17(18)14-15-19(21)29-23(22)25-20(26)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,13-15H2,1H3,(H,25,26)