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

Systemtic Name: methyl 2-[(4-methoxyphenyl)carbonylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[(4-methoxybenzoyl)amino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxybenzoyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-(p-anisoylamino)-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C(=O)OC

InChI

InChI=1S/C22H19NO4S/c1-26-15-10-7-14(8-11-15)20(24)23-21-18(22(25)27-2)17-12-9-13-5-3-4-6-16(13)19(17)28-21/h3-8,10-11H,9,12H2,1-2H3,(H,23,24)