[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-chloranyl-4-ethoxy-5-methoxy-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-chloro-4-ethoxy-5-methoxy-benzoate CAS Name: 3-chloro-4-ethoxy-5-methoxybenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate Traditional Name: 3-chloro-4-ethoxy-5-methoxy-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C19H19ClO5S MolecularWeight: 394.86916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)SC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C19H19ClO5S/c1-4-24-18-15(20)9-13(10-17(18)23-2)19(22)25-11-16(21)12-5-7-14(26-3)8-6-12/h5-10H,4,11H2,1-3H3