ethyl 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoate Openeye Name: ethyl 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]benzoate Traditional Name: 4-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C23H25N3O3S/c1-3-20(21(27)25-18-11-9-15(10-12-18)23(28)29-4-2)30-22-17(14-24)13-16-7-5-6-8-19(16)26-22/h9-13,20H,3-8H2,1-2H3,(H,25,27)