ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19N3O6S2 MolecularWeight: 437.48996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H19N3O6S2/c1-3-11-8-12(18(24)27-4-2)17(29-11)20-15(22)9-28-14-6-5-10(16(19)23)7-13(14)21(25)26/h5-8H,3-4,9H2,1-2H3,(H2,19,23)(H,20,22)