O1-tert-butyl O4-ethyl 4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanylmethyl]piperidine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-ethyl 4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanylmethyl]piperidine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-ethyl 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanylmethyl]piperidine-1,4-dicarboxylate CAS Name: 4-[[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester IUPAC Name: 1-O-tert-butyl 4-O-ethyl 4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfanylmethyl]piperidine-1,4-dicarboxylate Traditional Name: 4-[[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)thio]methyl]piperidine-1,4-dicarboxylic acid O1-tert-butyl ester O4-ethyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CSC2=CC3=C(CCN(C3)C(=O)C)C=C2

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CSC2=CC3=C(CCN(C3)C(=O)C)C=C2

InChI

InChI=1S/C25H36N2O5S/c1-6-31-22(29)25(10-13-26(14-11-25)23(30)32-24(3,4)5)17-33-21-8-7-19-9-12-27(18(2)28)16-20(19)15-21/h7-8,15H,6,9-14,16-17H2,1-5H3