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

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O3S/c1-3-15-13(2)20(14-8-4-5-9-16(14)23-15)21(27)28-12-19(26)25-22-24-17-10-6-7-11-18(17)29-22/h4-11H,3,12H2,1-2H3,(H,24,25,26)