ethyl 5-ethyl-2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H22N2O6S2/c1-4-13-9-14(19(23)27-5-2)18(29-13)20-17(22)11-28-10-12-6-7-16(26-3)15(8-12)21(24)25/h6-9H,4-5,10-11H2,1-3H3,(H,20,22)