ethyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H12ClN3O5S2 MolecularWeight: 449.88798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5S2/c1-3-27-18(24)13-8(2)10(7-20)17(29-13)21-16(23)15-12(19)9-5-4-6-11(22(25)26)14(9)28-15/h4-6H,3H2,1-2H3,(H,21,23)