2-[2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid

Systemtic Name: 2-[2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid Openeye Name: 2-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid CAS Name: 2-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]ethyl]-4-ethoxycarbonyl-1-piperidinecarboxylic acid IUPAC Name: 2-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonylpiperidine-1-carboxylic acid Traditional Name: 2-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]ethyl]-4-carbethoxy-piperidine-1-carboxylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C(C1)CCSC2=CC3=C(CCN(C3)C(=O)C)C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCN(C(C1)CCSC2=CC3=C(CCN(C3)C(=O)C)C=C2)C(=O)O

InChI

InChI=1S/C22H30N2O5S/c1-3-29-21(26)17-7-10-24(22(27)28)19(12-17)8-11-30-20-5-4-16-6-9-23(15(2)25)14-18(16)13-20/h4-5,13,17,19H,3,6-12,14H2,1-2H3,(H,27,28)