ethyl 4-(2-methylpropylsulfanyl)-6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-(2-methylpropylsulfanyl)-6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-isobutylsulfanyl-6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylate CAS Name: 4-(2-methylpropylthio)-6-nitro-3-(1-pyrrolyl)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropylsulfanyl)-6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Traditional Name: 4-(isobutylthio)-6-nitro-3-pyrrol-1-yl-benzothiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)[N+](=O)[O-])N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCC(C)C)[N+](=O)[O-])N3C=CC=C3

InChI

InChI=1S/C19H20N2O4S2/c1-4-25-19(22)18-17(20-7-5-6-8-20)16-14(26-11-12(2)3)9-13(21(23)24)10-15(16)27-18/h5-10,12H,4,11H2,1-3H3