S-ethyl 2-[(4-chlorophenyl)-oxidanyl-methyl]prop-2-enethioate

Systemtic Name: S-ethyl 2-[(4-chlorophenyl)-oxidanyl-methyl]prop-2-enethioate Openeye Name: S-ethyl 2-[(4-chlorophenyl)-hydroxy-methyl]prop-2-enethioate CAS Name: 2-[(4-chlorophenyl)-hydroxymethyl]-2-propenethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-[(4-chlorophenyl)-hydroxymethyl]prop-2-enethioate Traditional Name: 2-[(4-chlorophenyl)-hydroxy-methyl]prop-2-enethioic acid S-ethyl ester Formula: C12H13ClO2S MolecularWeight: 256.74842

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(=C)C(C1=CC=C(C=C1)Cl)O

Isomeric SMILES

CCSC(=O)C(=C)C(C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C12H13ClO2S/c1-3-16-12(15)8(2)11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,2-3H2,1H3