[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C19H18ClNO4S/c1-26-16-5-3-15(4-6-16)21-18(22)11-25-19(23)13-8-12-9-14(20)2-7-17(12)24-10-13/h2-7,9,13H,8,10-11H2,1H3,(H,21,22)