1-[3-(2-hydroxyethylimino)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanyl-propan-1-one

Systemtic Name: 1-[3-(2-hydroxyethylimino)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanyl-propan-1-one Openeye Name: 1-[3-(2-hydroxyethylimino)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanyl-propan-1-one CAS Name: 1-[3-(2-hydroxyethylimino)-2-[(4-methoxyphenyl)methyl]-1-pyrrolidinyl]-3-mercapto-2-methyl-1-propanone IUPAC Name: 1-[3-(2-hydroxyethylimino)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanylpropan-1-one Traditional Name: 1-[3-(2-hydroxyethylimino)-2-p-anisyl-pyrrolidino]-3-mercapto-2-methyl-propan-1-one Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCC(=NCCO)C1CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(CS)C(=O)N1CCC(=NCCO)C1CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H26N2O3S/c1-13(12-24)18(22)20-9-7-16(19-8-10-21)17(20)11-14-3-5-15(23-2)6-4-14/h3-6,13,17,21,24H,7-12H2,1-2H3