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

Systemtic Name: methyl 4-(2-methylpropylsulfanyl)-6-nitro-3-pyrrol-1-yl-1-benzothiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=CC(=CC2=C1C(=C(S2)C(=O)OC)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4S2/c1-11(2)10-25-13-8-12(20(22)23)9-14-15(13)16(19-6-4-5-7-19)17(26-14)18(21)24-3/h4-9,11H,10H2,1-3H3