ethyl 2-(2-phenylquinolin-4-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2-phenylquinolin-4-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2-phenylquinoline-4-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-phenylquinoline-4-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-phenylquinoline-4-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C29H21N3O3S MolecularWeight: 491.56034

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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=CC=C5)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C29H21N3O3S/c1-3-16-32-25-15-14-20(28(34)35-4-2)17-26(25)36-29(32)31-27(33)22-18-24(19-10-6-5-7-11-19)30-23-13-9-8-12-21(22)23/h1,5-15,17-18H,4,16H2,2H3