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

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H20N4O4S/c1-3-17(30-21(28)14-6-5-7-16-19(14)24-11-10-23-16)20(27)26-22-25-15-9-8-13(29-4-2)12-18(15)31-22/h5-12,17H,3-4H2,1-2H3,(H,25,26,27)