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

Systemtic Name: ethyl 2-[2-(3-aminophenyl)carbonyloxybutanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S/c1-3-20(33-25(30)16-9-7-10-17(27)14-16)23(29)28-24-21(26(31)32-4-2)19-13-12-15-8-5-6-11-18(15)22(19)34-24/h5-11,14,20H,3-4,12-13,27H2,1-2H3,(H,28,29)