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

Systemtic Name: S-[2-[3-(1-hydroxyethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-pyrrolidin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-pyrrolidino]-2-keto-ethyl] ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CN(CC1C2=CC(=C(C=C2)OC)O)C(=O)CSC(=O)C)C)O

Isomeric SMILES

CC(C1(CN(CC1C2=CC(=C(C=C2)OC)O)C(=O)CSC(=O)C)C)O

InChI

InChI=1S/C18H25NO5S/c1-11(20)18(3)10-19(17(23)9-25-12(2)21)8-14(18)13-5-6-16(24-4)15(22)7-13/h5-7,11,14,20,22H,8-10H2,1-4H3