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

Systemtic Name: ethyl 3-azanyl-4-(2-hydroxyethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-4-(2-hydroxyethylsulfanyl)-6-nitro-benzothiophene-2-carboxylate CAS Name: 3-amino-4-(2-hydroxyethylthio)-6-nitro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-(2-hydroxyethylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-4-(2-hydroxyethylthio)-6-nitro-benzothiophene-2-carboxylic acid ethyl ester Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCCO)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SCCO)[N+](=O)[O-])N

InChI

InChI=1S/C13H14N2O5S2/c1-2-20-13(17)12-11(14)10-8(21-4-3-16)5-7(15(18)19)6-9(10)22-12/h5-6,16H,2-4,14H2,1H3