methyl 2-[2-(3,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,8-dimethylquinolin-2-yl)sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(3,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3,8-dimethyl-2-quinolyl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC)C

InChI

InChI=1S/C21H22N2O3S2/c1-11-7-6-8-15-9-12(2)19(23-18(11)15)27-10-16(24)22-20-17(21(25)26-5)13(3)14(4)28-20/h6-9H,10H2,1-5H3,(H,22,24)