[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl] 2,3-diphenylquinoxaline-6-carboxylate CAS Name: 2,3-diphenyl-6-quinoxalinecarboxylic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl] 2,3-diphenylquinoxaline-6-carboxylate Traditional Name: 2,3-diphenylquinoxaline-6-carboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C31H22N4O3S MolecularWeight: 530.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC4=C(C=C3)N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H22N4O3S/c1-19(29(36)35-31-34-24-14-8-9-15-26(24)39-31)38-30(37)22-16-17-23-25(18-22)33-28(21-12-6-3-7-13-21)27(32-23)20-10-4-2-5-11-20/h2-19H,1H3,(H,34,35,36)