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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C21H21N3O3S/c1-2-27-21(26)15-7-5-8-17(11-15)23-19(25)13-28-20-16(12-22)10-14-6-3-4-9-18(14)24-20/h5,7-8,10-11H,2-4,6,9,13H2,1H3,(H,23,25)