methyl 4-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C26H23N3O3S/c1-32-26(31)18-7-10-22(11-8-18)28-24(30)16-33-25-21(15-27)14-20-13-19(9-12-23(20)29-25)17-5-3-2-4-6-17/h2-8,10-11,14,19H,9,12-13,16H2,1H3,(H,28,30)