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

Systemtic Name: methyl 3-[[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-(cyclopentylamino)-2-oxoethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(cyclopentylamino)-2-keto-ethyl]thio]methyl]benzoic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2CCCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(=O)NC2CCCC2

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)13-6-4-5-12(9-13)10-21-11-15(18)17-14-7-2-3-8-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,18)