methyl 3-[[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-(2-thenylamino)ethyl]thio]methyl]benzoic acid methyl ester Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCC2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NCC2=CC=CS2

InChI

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