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2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylethanoic acid

Systemtic Name:	2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanylethanoic acid
Openeye Name:	2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanylacetic acid
CAS Name:	2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]acetic acid
IUPAC Name:	2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanylacetic acid
Traditional Name:	2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]acetic acid
Formula:	C₁₆H₂₁NO₃S
MolecularWeight:	307.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC(=O)O

InChI

InChI=1S/C16H21NO3S/c18-15(11-21-12-16(19)20)17-8-6-14(7-9-17)10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)

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(3R,3'R,4'S,6'R,8'S,8'aS)-8'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-6'-[2-(2-hydroxyethyloxy)phenyl]-5-[3-[methyl-(phenylmethyl)amino]prop-1-ynyl]-3',4'-diphenyl-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-1',2-dione
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(3R,3'R,4'S,6'R,8'S,8'aS)-5-[2-(cyclohexen-1-yl)ethynyl]-6'-[2-(2-hydroxyethyloxy)phenyl]-1',2-bis(oxidanylidene)-3',4'-diphenyl-N-prop-2-enyl-spiro[1H-indole-3,7'-4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine]-8'-carboxamide
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