[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C20H18ClNO5S MolecularWeight: 419.87862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC)Cl

InChI

InChI=1S/C20H18ClNO5S/c1-25-17-8-7-12(9-15(17)21)22-18(23)10-26-20(24)19-14(11-28-2)13-5-3-4-6-16(13)27-19/h3-9H,10-11H2,1-2H3,(H,22,23)