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

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C21H16N4O6S MolecularWeight: 452.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=C4C(=CC=C3)OC=N4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=C4C(=CC=C3)OC=N4

InChI

InChI=1S/C21H16N4O6S/c1-2-16(31-20(27)14-7-4-8-17-18(14)22-11-30-17)19(26)24-21-23-15(10-32-21)12-5-3-6-13(9-12)25(28)29/h3-11,16H,2H2,1H3,(H,23,24,26)