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

Systemtic Name: 4-[2-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonyl-piperidine-1-carboxylic acid CAS Name: 4-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]ethyl]-4-ethoxycarbonyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanyl]ethyl]-4-ethoxycarbonylpiperidine-1-carboxylic acid Traditional Name: 4-[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)C1(CCN(CC1)C(=O)O)CCSC2=CC3=C(CCN(C3)C(=O)C)C=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)O)CCSC2=CC3=C(CCN(C3)C(=O)C)C=C2

InChI

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