ethyl 4-cyano-5-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-[(3-ethyl-2-quinolyl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(3-ethylquinolin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[(3-ethyl-2-quinolyl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C#N

InChI

InChI=1S/C22H21N3O3S2/c1-4-14-10-15-8-6-7-9-17(15)24-20(14)29-12-18(26)25-21-16(11-23)13(3)19(30-21)22(27)28-5-2/h6-10H,4-5,12H2,1-3H3,(H,25,26)