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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H21N3O5S2/c1-3-35-24(31)15-30-21-11-10-16(26(33)34-2)13-23(21)37-27(30)29-25(32)18-14-20(22-9-6-12-36-22)28-19-8-5-4-7-17(18)19/h4-14H,3,15H2,1-2H3