ethyl 4-cyano-3-methyl-5-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(5-nitro-1-benzothiophen-2-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(5-nitro-1-benzothiophene-2-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(5-nitrobenzothiophene-2-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C18H13N3O5S2/c1-3-26-18(23)15-9(2)12(8-19)17(28-15)20-16(22)14-7-10-6-11(21(24)25)4-5-13(10)27-14/h4-7H,3H2,1-2H3,(H,20,22)