ethyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C27H25N3O4S2/c1-4-34-27(33)23-17(3)24(25(32)28-18-10-6-5-7-11-18)36-26(23)30-21(31)15-35-22-14-16(2)19-12-8-9-13-20(19)29-22/h5-14H,4,15H2,1-3H3,(H,28,32)(H,30,31)