methyl 4,5-dimethyl-2-[3-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[3-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-(4-methyl-2-oxo-1-quinolyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(4-methyl-2-oxo-1-quinolinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 2-[3-(2-keto-4-methyl-1-quinolyl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=O)N(C2=CC=CC=C12)CCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-12-11-18(25)23(16-8-6-5-7-15(12)16)10-9-17(24)22-20-19(21(26)27-4)13(2)14(3)28-20/h5-8,11H,9-10H2,1-4H3,(H,22,24)