ethyl 2,5-dimethyl-4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(4-methyl-2-quinolyl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=C2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=C2)C)C)C

InChI

InChI=1S/C21H22N2O3S/c1-5-26-21(25)20-14(4)22-13(3)19(20)17(24)11-27-18-10-12(2)15-8-6-7-9-16(15)23-18/h6-10,22H,5,11H2,1-4H3