[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N4O4S/c1-3-28-13-8-9-16-18(10-13)30-21(24-16)25-19(26)12(2)29-20(27)17-11-22-14-6-4-5-7-15(14)23-17/h4-12H,3H2,1-2H3,(H,24,25,26)