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

Systemtic Name: ethyl 3-azanyl-4-(furan-2-ylmethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(2-furylmethylsulfanyl)-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(2-furanylmethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H14N2O5S2 MolecularWeight: 378.42276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5S2/c1-2-22-16(19)15-14(17)13-11(24-8-10-4-3-5-23-10)6-9(18(20)21)7-12(13)25-15/h3-7H,2,8,17H2,1H3