ethyl 2-(3-chloranyl-4-sulfanyl-phenyl)but-3-enoate

Systemtic Name: ethyl 2-(3-chloranyl-4-sulfanyl-phenyl)but-3-enoate Openeye Name: ethyl 2-(3-chloro-4-sulfanyl-phenyl)but-3-enoate CAS Name: 2-(3-chloro-4-mercaptophenyl)-3-butenoic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-4-sulfanylphenyl)but-3-enoate Traditional Name: 2-(3-chloro-4-mercapto-phenyl)but-3-enoic acid ethyl ester Formula: C12H13ClO2S MolecularWeight: 256.74842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO2S/c1-3-9(12(14)15-4-2)8-5-6-11(16)10(13)7-8/h3,5-7,9,16H,1,4H2,2H3