ethyl 4-(2-methylpropyl)-2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C23H26N2O3S2/c1-5-28-23(27)21-16(10-14(2)3)12-30-22(21)25-19(26)13-29-20-11-15(4)17-8-6-7-9-18(17)24-20/h6-9,11-12,14H,5,10,13H2,1-4H3,(H,25,26)