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

Systemtic Name: ethyl 3-prop-2-ynyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-prop-2-ynyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-prop-2-ynyl-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H19N3O3S2 MolecularWeight: 497.58806

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C27H19N3O3S2/c1-3-13-30-22-12-11-17(26(32)33-4-2)15-24(22)35-27(30)29-25(31)19-16-21(23-10-7-14-34-23)28-20-9-6-5-8-18(19)20/h1,5-12,14-16H,4,13H2,2H3