methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-prop-2-ynoxy-benzoate

Systemtic Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-prop-2-ynoxy-benzoate Openeye Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-prop-2-ynoxy-benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-4-prop-2-ynoxybenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chlorophenyl)sulfanylmethyl]-4-prop-2-ynoxybenzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-4-propargyloxy-benzoic acid methyl ester Formula: C18H15ClO3S MolecularWeight: 346.8279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC#C)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC#C)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H15ClO3S/c1-3-10-22-17-9-4-13(18(20)21-2)11-14(17)12-23-16-7-5-15(19)6-8-16/h1,4-9,11H,10,12H2,2H3