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

Systemtic Name: methyl 3-azanyl-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate CAS Name: 3-amino-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid methyl ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S2/c1-22-16(19)15-14(17)13-11(23-10-5-3-2-4-6-10)7-9(18(20)21)8-12(13)24-15/h2-8H,17H2,1H3