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

Systemtic Name: methyl 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 2-[[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 2-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-15(22(29)27-21-9-7-6-8-19(21)24(30)31-5)32-23-17(14-26)12-16-13-18(25(2,3)4)10-11-20(16)28-23/h6-9,12,15,18H,10-11,13H2,1-5H3,(H,27,29)