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

Systemtic Name: methyl 2-[6-ethoxy-2-(2-phenylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(2-phenyl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C28H23N3O4S MolecularWeight: 497.56492

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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=CC=C5)S2)CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H23N3O4S/c1-3-35-19-13-14-24-25(15-19)36-28(31(24)17-26(32)34-2)30-27(33)21-16-23(18-9-5-4-6-10-18)29-22-12-8-7-11-20(21)22/h4-16H,3,17H2,1-2H3