ethyl 2-[(4-methyl-2-nitro-phenyl)amino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methyl-2-nitro-phenyl)amino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(4-methyl-2-nitro-anilino)benzothiophene-3-carboxylate CAS Name: 2-(4-methyl-2-nitroanilino)-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-2-nitroanilino)-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-methyl-2-nitro-anilino)benzothiophene-3-carboxylic acid ethyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC3=C(C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O4S/c1-3-24-18(21)16-12-6-4-5-7-15(12)25-17(16)19-13-9-8-11(2)10-14(13)20(22)23/h4-10,19H,3H2,1-2H3