S-[1-(4-methoxy-3-oxidanyl-phenyl)-2-(3-methylpyrrolidin-1-yl)-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[1-(4-methoxy-3-oxidanyl-phenyl)-2-(3-methylpyrrolidin-1-yl)-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[1-(3-hydroxy-4-methoxy-phenyl)-2-(3-methylpyrrolidin-1-yl)-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[1-(3-hydroxy-4-methoxyphenyl)-2-(3-methyl-1-pyrrolidinyl)-2-oxoethyl] ester IUPAC Name: S-[1-(3-hydroxy-4-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[1-(3-hydroxy-4-methoxy-phenyl)-2-keto-2-(3-methylpyrrolidino)ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C(=O)C(C2=CC(=C(C=C2)OC)O)SC(=O)C

Isomeric SMILES

CC1CCN(C1)C(=O)C(C2=CC(=C(C=C2)OC)O)SC(=O)C

InChI

InChI=1S/C16H21NO4S/c1-10-6-7-17(9-10)16(20)15(22-11(2)18)12-4-5-14(21-3)13(19)8-12/h4-5,8,10,15,19H,6-7,9H2,1-3H3