propan-2-yl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C18H19ClN2O5S/c1-5-12-10(4)27-17(15(12)18(23)26-9(2)3)20-16(22)11-6-7-13(19)14(8-11)21(24)25/h6-9H,5H2,1-4H3,(H,20,22)