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

Systemtic Name: methyl 3-acetyloxy-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-acetoxy-6-nitro-4-phenylsulfanyl-benzothiophene-2-carboxylate CAS Name: 3-acetyloxy-6-nitro-4-(phenylthio)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyloxy-6-nitro-4-phenylsulfanyl-1-benzothiophene-2-carboxylate Traditional Name: 3-acetoxy-6-nitro-4-(phenylthio)benzothiophene-2-carboxylic acid methyl ester Formula: C18H13NO6S2 MolecularWeight: 403.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)OC1=C(SC2=C1C(=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H13NO6S2/c1-10(20)25-16-15-13(26-12-6-4-3-5-7-12)8-11(19(22)23)9-14(15)27-17(16)18(21)24-2/h3-9H,1-2H3