[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C28H23N3O6S MolecularWeight: 529.56372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H23N3O6S/c1-34-22-12-16(13-23(35-2)26(22)36-3)21-14-18(17-8-4-5-9-19(17)29-21)27(33)37-15-25(32)31-28-30-20-10-6-7-11-24(20)38-28/h4-14H,15H2,1-3H3,(H,30,31,32)