ethyl 2-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(8-methoxy-4-methyl-quinolin-2-yl)sulfanylpropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(8-methoxy-4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(8-methoxy-4-methylquinolin-2-yl)sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[(8-methoxy-4-methyl-2-quinolyl)thio]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C27H26N2O4S2/c1-4-33-27(31)24-20(18-9-6-5-7-10-18)16-35-26(24)28-22(30)13-14-34-23-15-17(2)19-11-8-12-21(32-3)25(19)29-23/h5-12,15-16H,4,13-14H2,1-3H3,(H,28,30)