dimethyl 2-[(1-chloranylbenzo[e][1]benzothiol-2-yl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(1-chloranylbenzo[e][1]benzothiol-2-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(1-chlorobenzo[e]benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(1-chloro-2-benzo[e][1]benzothiolyl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(1-chlorobenzo[e][1]benzothiole-2-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(1-chlorobenzo[e]benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H16ClNO5S MolecularWeight: 453.89484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=C(C3=C(S2)C=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C23H16ClNO5S/c1-29-22(27)13-7-9-15(23(28)30-2)16(11-13)25-21(26)20-19(24)18-14-6-4-3-5-12(14)8-10-17(18)31-20/h3-11H,1-2H3,(H,25,26)