methyl 4-[[(4S)-3-cyano-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[(4S)-3-cyano-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[(4S)-3-cyano-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[(4S)-3-cyano-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydro-3H-quinolin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4S)-3-cyano-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(4S)-3-cyano-5-keto-4-(3-pyridyl)-4,6,7,8-tetrahydro-3H-quinolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C(C2C#N)C4=CN=CC=C4)C(=O)CCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C([C@@H](C2C#N)C4=CN=CC=C4)C(=O)CCC3

InChI

InChI=1S/C24H21N3O3S/c1-30-24(29)16-9-7-15(8-10-16)14-31-23-18(12-25)21(17-4-3-11-26-13-17)22-19(27-23)5-2-6-20(22)28/h3-4,7-11,13,18,21H,2,5-6,14H2,1H3/t18?,21-/m1/s1