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

Systemtic Name: methyl 2-[[3-ethoxypropyl-(3-nitrophenyl)carbonyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[3-ethoxypropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[3-ethoxypropyl-[(3-nitrophenyl)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-ethoxypropyl-(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[3-ethoxypropyl-(3-nitrobenzoyl)amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOCCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-3-27-9-5-8-20(11-16-19-15(12-28-16)18(23)26-2)17(22)13-6-4-7-14(10-13)21(24)25/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3