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

Systemtic Name: methyl 2-[2-(3-aminophenyl)carbonyloxybutanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[2-(3-aminobenzoyl)oxybutanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-aminophenyl)-oxomethoxy]-1-oxobutyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-aminobenzoyl)oxybutanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-(3-aminobenzoyl)oxybutanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O5S/c1-3-19(32-24(29)15-8-6-9-16(26)13-15)22(28)27-23-20(25(30)31-2)18-12-11-14-7-4-5-10-17(14)21(18)33-23/h4-10,13,19H,3,11-12,26H2,1-2H3,(H,27,28)