5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-[(4-methoxyphenyl)thio]-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-[(4-methoxyphenyl)thio]pent-4-ynoic acid Formula: C18H15ClO3S MolecularWeight: 346.8279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC(CC#CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)SC(CC#CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H15ClO3S/c1-22-15-9-11-16(12-10-15)23-17(18(20)21)4-2-3-13-5-7-14(19)8-6-13/h5-12,17H,4H2,1H3,(H,20,21)