propan-2-yl 4-[2-(3-cyano-6,8-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(3-cyano-6,8-dimethyl-quinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(3-cyano-6,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-6,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(3-cyano-6,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-6,8-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C#N)C

InChI

InChI=1S/C24H23N3O3S/c1-14(2)30-24(29)17-5-7-20(8-6-17)26-21(28)13-31-23-19(12-25)11-18-10-15(3)9-16(4)22(18)27-23/h5-11,14H,13H2,1-4H3,(H,26,28)