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

Systemtic Name: ethyl 2-[(3,4-dimethoxyphenyl)carbonylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-(veratroylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid ethyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H23NO5S/c1-4-30-24(27)20-17-11-9-14-7-5-6-8-16(14)21(17)31-23(20)25-22(26)15-10-12-18(28-2)19(13-15)29-3/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,25,26)