ethyl 2-[[cyclopropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[cyclopropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[cyclopropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[cyclopropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-2-25-17(22)14-10-26-15(18-14)9-19(12-6-7-12)16(21)11-4-3-5-13(8-11)20(23)24/h3-5,8,10,12H,2,6-7,9H2,1H3