ethyl 3-(2-chloranyl-5-sulfanyl-phenyl)-3-oxidanylidene-2-(phenylmethyl)propanoate

Systemtic Name: ethyl 3-(2-chloranyl-5-sulfanyl-phenyl)-3-oxidanylidene-2-(phenylmethyl)propanoate Openeye Name: ethyl 2-benzyl-3-(2-chloro-5-sulfanyl-phenyl)-3-oxo-propanoate CAS Name: 3-(2-chloro-5-mercaptophenyl)-3-oxo-2-(phenylmethyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-(2-chloro-5-sulfanylphenyl)-3-oxopropanoate Traditional Name: 2-benzyl-3-(2-chloro-5-mercapto-phenyl)-3-keto-propionic acid ethyl ester Formula: C18H17ClO3S MolecularWeight: 348.84378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)S)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)S)Cl

InChI

InChI=1S/C18H17ClO3S/c1-2-22-18(21)15(10-12-6-4-3-5-7-12)17(20)14-11-13(23)8-9-16(14)19/h3-9,11,15,23H,2,10H2,1H3