ethyl 2-[[3-cyano-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-cyano-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(4-benzyloxyphenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-benzoxyphenyl)-3-cyano-5-keto-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetic acid ethyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H26N2O4S/c1-2-32-24(31)17-34-27-21(15-28)25(26-22(29-27)9-6-10-23(26)30)19-11-13-20(14-12-19)33-16-18-7-4-3-5-8-18/h3-5,7-8,11-14,25,29H,2,6,9-10,16-17H2,1H3