(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid (3-carbomethoxy-4-methyl-2-quinolyl)methyl ester Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CSC(=N3)C4=CSC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CSC(=N3)C4=CSC=C4)C(=O)OC

InChI

InChI=1S/C21H16N2O4S2/c1-12-14-5-3-4-6-15(14)22-16(18(12)21(25)26-2)9-27-20(24)17-11-29-19(23-17)13-7-8-28-10-13/h3-8,10-11H,9H2,1-2H3