ethyl 3-methyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)C

InChI

InChI=1S/C25H19N3O3S2/c1-3-31-24(30)15-10-11-20-22(13-15)33-25(28(20)2)27-23(29)17-14-19(21-9-6-12-32-21)26-18-8-5-4-7-16(17)18/h4-14H,3H2,1-2H3