propyl 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-(4-benzyloxyphenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-benzoxyphenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid propyl ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCOC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3S/c1-2-16-32-26(31)19-34-28-24(17-29)27(23-10-6-7-11-25(23)30-28)21-12-14-22(15-13-21)33-18-20-8-4-3-5-9-20/h3-5,8-9,12-15H,2,6-7,10-11,16,18-19H2,1H3