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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C2=CC(=C(C=C2)OC)O)C(=O)CSC(=O)C

Isomeric SMILES

CC1CN(CC1C2=CC(=C(C=C2)OC)O)C(=O)CSC(=O)C

InChI

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