ethyl 2-[2-(3-cyano-6-methyl-quinolin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-cyano-6-methyl-quinolin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-cyano-6-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-cyano-6-methylquinolin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-cyano-6-methyl-2-quinolyl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)C)C=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)C)C=C3C#N

InChI

InChI=1S/C26H21N3O3S2/c1-3-32-26(31)23-20(17-7-5-4-6-8-17)14-33-25(23)29-22(30)15-34-24-19(13-27)12-18-11-16(2)9-10-21(18)28-24/h4-12,14H,3,15H2,1-2H3,(H,29,30)