methyl 2-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]benzoate

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]benzoate Openeye Name: methyl 2-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]benzoate CAS Name: 2-[3-(4-methoxyphenyl)prop-2-ynylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)prop-2-ynylsulfanyl]benzoate Traditional Name: 2-[3-(4-methoxyphenyl)prop-2-ynylthio]benzoic acid methyl ester Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CCSC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C#CCSC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H16O3S/c1-20-15-11-9-14(10-12-15)6-5-13-22-17-8-4-3-7-16(17)18(19)21-2/h3-4,7-12H,13H2,1-2H3