methyl 2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 2-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 2-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C27H25N3O3S/c1-17(25(31)29-24-11-7-6-10-22(24)27(32)33-2)34-26-21(16-28)15-20-14-19(12-13-23(20)30-26)18-8-4-3-5-9-18/h3-11,15,17,19H,12-14H2,1-2H3,(H,29,31)