[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-5-carboxylate

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-5-carboxylate Openeye Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-5-carboxylate CAS Name: 5-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-5-carboxylate Traditional Name: quinoxaline-5-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=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

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