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

Systemtic Name: ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C#N)C

InChI

InChI=1S/C18H13ClN2O3S2/c1-3-24-18(23)14-9(2)11(8-20)17(26-14)21-16(22)15-13(19)10-6-4-5-7-12(10)25-15/h4-7H,3H2,1-2H3,(H,21,22)