methyl 2-[2-(4-aminophenyl)carbonyloxypropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: methyl 2-[2-(4-aminophenyl)carbonyloxypropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[2-(4-aminobenzoyl)oxypropanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-aminophenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-aminobenzoyl)oxypropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(4-aminobenzoyl)oxypropanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C24H22N2O5S/c1-13(31-23(28)15-7-10-16(25)11-8-15)21(27)26-22-19(24(29)30-2)18-12-9-14-5-3-4-6-17(14)20(18)32-22/h3-8,10-11,13H,9,12,25H2,1-2H3,(H,26,27)