dimethyl 2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H16ClNO5S MolecularWeight: 417.86274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C20H16ClNO5S/c1-10-4-6-13-15(8-10)28-17(16(13)21)18(23)22-14-9-11(19(24)26-2)5-7-12(14)20(25)27-3/h4-9H,1-3H3,(H,22,23)