[1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-oxo-1-[(4-phenyl-2-thiazolyl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H18N4O3S/c1-2-19(29-21(28)17-12-23-15-10-6-7-11-16(15)24-17)20(27)26-22-25-18(13-30-22)14-8-4-3-5-9-14/h3-13,19H,2H2,1H3,(H,25,26,27)