[4-(thiophen-2-ylcarbonylamino)phenyl] 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]acetic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]acetic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S2/c1-28-18-9-4-14(11-17(18)23(26)27)12-30-13-20(24)29-16-7-5-15(6-8-16)22-21(25)19-3-2-10-31-19/h2-11H,12-13H2,1H3,(H,22,25)