(2Z)-2-[1-[(2-chlorophenyl)methyl]-4-sulfanyl-piperidin-3-ylidene]ethanoic acid

Systemtic Name: (2Z)-2-[1-[(2-chlorophenyl)methyl]-4-sulfanyl-piperidin-3-ylidene]ethanoic acid Openeye Name: (2Z)-2-[1-[(2-chlorophenyl)methyl]-4-sulfanyl-3-piperidylidene]acetic acid CAS Name: (2Z)-2-[1-[(2-chlorophenyl)methyl]-4-mercapto-3-piperidinylidene]acetic acid IUPAC Name: (2Z)-2-[1-[(2-chlorophenyl)methyl]-4-sulfanylpiperidin-3-ylidene]acetic acid Traditional Name: (2Z)-2-[1-(2-chlorobenzyl)-4-mercapto-3-piperidylidene]acetic acid Formula: C14H16ClNO2S MolecularWeight: 297.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=CC(=O)O)C1S)CC2=CC=CC=C2Cl

Isomeric SMILES

C1CN(C/C(=C/C(=O)O)/C1S)CC2=CC=CC=C2Cl

InChI

InChI=1S/C14H16ClNO2S/c15-12-4-2-1-3-10(12)8-16-6-5-13(19)11(9-16)7-14(17)18/h1-4,7,13,19H,5-6,8-9H2,(H,17,18)/b11-7-