[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O4S/c1-24(2)12-6-4-11(5-7-12)23-15(25)10-28-20(26)19-16(21)13-8-9-14(27-3)17(22)18(13)29-19/h4-9H,10H2,1-3H3,(H,23,25)