methyl 4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-(2-thienylmethylsulfanyl)ethylcarbamoyl]benzoate CAS Name: 4-[oxo-[2-(thiophen-2-ylmethylthio)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate Traditional Name: 4-[2-(2-thenylthio)ethylcarbamoyl]benzoic acid methyl ester Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C16H17NO3S2/c1-20-16(19)13-6-4-12(5-7-13)15(18)17-8-10-21-11-14-3-2-9-22-14/h2-7,9H,8,10-11H2,1H3,(H,17,18)