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

Systemtic Name: ethyl 2-[[3-cyano-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3S/c1-2-31-25(30)18-33-27-23(16-28)26(22-10-6-7-11-24(22)29-27)20-12-14-21(15-13-20)32-17-19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,17-18H2,1H3