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

Systemtic Name: ethyl 2-[[3-cyano-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[3-cyano-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[(3-cyano-5-keto-4-p-cumenyl-4,6,7,8-tetrahydro-1H-quinolin-2-yl)thio]acetic acid ethyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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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)C(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-4-28-20(27)13-29-23-17(12-24)21(16-10-8-15(9-11-16)14(2)3)22-18(25-23)6-5-7-19(22)26/h8-11,14,21,25H,4-7,13H2,1-3H3