methyl 4-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-[[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)amino]benzoate Traditional Name: 4-[(7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H19NO4S/c1-26-17-9-10-18-14(11-17)3-4-15-12-19(28-20(15)18)21(24)23-16-7-5-13(6-8-16)22(25)27-2/h5-12H,3-4H2,1-2H3,(H,23,24)