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

Systemtic Name: 1-[(3E)-3-hydroxyimino-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanyl-propan-1-one Openeye Name: 1-[(3E)-3-hydroxyimino-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanyl-propan-1-one CAS Name: 1-[(3E)-3-hydroxyimino-2-[(4-methoxyphenyl)methyl]-1-pyrrolidinyl]-3-mercapto-2-methyl-1-propanone IUPAC Name: 1-[(3E)-3-hydroxyimino-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-3-sulfanylpropan-1-one Traditional Name: 1-[(3E)-3-hydroximino-2-p-anisyl-pyrrolidino]-3-mercapto-2-methyl-propan-1-one Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCC(=NO)C1CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(CS)C(=O)N1CC/C(=N\O)/C1CC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N2O3S/c1-11(10-22)16(19)18-8-7-14(17-20)15(18)9-12-3-5-13(21-2)6-4-12/h3-6,11,15,20,22H,7-10H2,1-2H3/b17-14+