ethyl 5-ethyl-2-[2-[4-(methylamino)-3-nitro-phenyl]carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(methylamino)-3-nitro-phenyl]carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[4-(methylamino)-3-nitro-benzoyl]oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[[4-(methylamino)-3-nitrophenyl]-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[4-(methylamino)-3-nitrobenzoyl]oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(methylamino)-3-nitro-benzoyl]oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-4-12-9-13(19(25)28-5-2)17(30-12)21-16(23)10-29-18(24)11-6-7-14(20-3)15(8-11)22(26)27/h6-9,20H,4-5,10H2,1-3H3,(H,21,23)