ethyl 2-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-cyano-7-methyl-2-quinolyl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C=C2C#N

InChI

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