ethyl 3-azanyl-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-azanyl-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-amino-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate CAS Name: 3-amino-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid ethyl ester Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C=C(C=C2SC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H14N2O4S2/c1-2-23-17(20)16-15(18)14-12(24-11-6-4-3-5-7-11)8-10(19(21)22)9-13(14)25-16/h3-9H,2,18H2,1H3