methyl 4-(4-nitrophenyl)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 4-(4-nitrophenyl)-1-benzothiophene-2-carboxylate Openeye Name: methyl 4-(4-nitrophenyl)benzothiophene-2-carboxylate CAS Name: 4-(4-nitrophenyl)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)-1-benzothiophene-2-carboxylate Traditional Name: 4-(4-nitrophenyl)benzothiophene-2-carboxylic acid methyl ester Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO4S/c1-21-16(18)15-9-13-12(3-2-4-14(13)22-15)10-5-7-11(8-6-10)17(19)20/h2-9H,1H3