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

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

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

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N


Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N


InChI

InChI=1S/C21H21N3O3S/c1-27-21(26)16-7-3-5-9-18(16)23-19(25)10-11-28-20-15(13-22)12-14-6-2-4-8-17(14)24-20/h3,5,7,9,12H,2,4,6,8,10-11H2,1H3,(H,23,25)


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