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

Systemtic Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-3-16(19(26)25-21-24-14-8-7-12(2)11-17(14)29-21)28-20(27)13-5-4-6-15-18(13)23-10-9-22-15/h4-11,16H,3H2,1-2H3,(H,24,25,26)