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

Systemtic Name: methyl 2-[2-(3-aminophenyl)carbonyloxypropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminobenzoyl)oxypropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(3-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(=CC=C4)N

Isomeric SMILES

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

InChI

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