[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2CCCC2

InChI

InChI=1S/C16H21NO4S/c1-20-14-9-12(22-2)7-8-13(14)16(19)21-10-15(18)17-11-5-3-4-6-11/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)