methyl 2-[6-ethoxy-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H21N3O4S2 MolecularWeight: 503.59264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CC(=O)OC

InChI

InChI=1S/C26H21N3O4S2/c1-3-33-16-10-11-21-23(13-16)35-26(29(21)15-24(30)32-2)28-25(31)18-14-20(22-9-6-12-34-22)27-19-8-5-4-7-17(18)19/h4-14H,3,15H2,1-2H3