[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H21N3O4S/c1-22(2)21(28)24-14-7-3-5-9-16(14)25(22)19(26)13-29-20(27)12-11-18-23-15-8-4-6-10-17(15)30-18/h3-10H,11-13H2,1-2H3,(H,24,28)