methyl 3-azanyl-4-(furan-2-ylmethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-(furan-2-ylmethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-4-(2-furylmethylsulfanyl)-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(2-furanylmethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-(furan-2-ylmethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-(2-furfurylthio)-6-nitro-benzothiophene-2-carboxylic acid methyl ester Formula: C15H12N2O5S2 MolecularWeight: 364.39618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CO3)[N+](=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2SCC3=CC=CO3)[N+](=O)[O-])N

InChI

InChI=1S/C15H12N2O5S2/c1-21-15(18)14-13(16)12-10(23-7-9-3-2-4-22-9)5-8(17(19)20)6-11(12)24-14/h2-6H,7,16H2,1H3