[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H16ClNO4S/c1-11-14-4-3-5-15(20)18(14)25-17(11)19(23)24-10-16(22)21-12-6-8-13(26-2)9-7-12/h3-9H,10H2,1-2H3,(H,21,22)