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

Systemtic Name: methyl 2-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate CAS Name: 2-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 2-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C21H21N3O3S/c1-13(19(25)23-18-10-6-4-8-16(18)21(26)27-2)28-20-15(12-22)11-14-7-3-5-9-17(14)24-20/h4,6,8,10-11,13H,3,5,7,9H2,1-2H3,(H,23,25)