methyl 3-(2-ethoxyethyl)-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O4S/c1-3-36-16-15-32-25-14-13-20(28(34)35-2)17-26(25)37-29(32)31-27(33)22-18-24(19-9-5-4-6-10-19)30-23-12-8-7-11-21(22)23/h4-14,17-18H,3,15-16H2,1-2H3