methyl 4-(4-methoxyphenyl)carbothioylsulfanylbutanoate

Systemtic Name: methyl 4-(4-methoxyphenyl)carbothioylsulfanylbutanoate Openeye Name: methyl 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoate CAS Name: 4-[[(4-methoxyphenyl)-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoate Traditional Name: 4-[(4-methoxythiobenzoyl)thio]butyric acid methyl ester Formula: C13H16O3S2 MolecularWeight: 284.39434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)SCCCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)SCCCC(=O)OC

InChI

InChI=1S/C13H16O3S2/c1-15-11-7-5-10(6-8-11)13(17)18-9-3-4-12(14)16-2/h5-8H,3-4,9H2,1-2H3