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

Systemtic Name: methyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H10ClN3O5S2 MolecularWeight: 435.8614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C17H10ClN3O5S2/c1-7-9(6-19)16(28-12(7)17(23)26-2)20-15(22)14-11(18)8-4-3-5-10(21(24)25)13(8)27-14/h3-5H,1-2H3,(H,20,22)