[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-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-5-carboxylate Traditional Name: 1,3-benzoxazole-5-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=CC4=C(C=C3)OC=N4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC4=C(C=C3)OC=N4

InChI

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