ethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H12Cl2N2O3S2 MolecularWeight: 439.33548

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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=C(C=C3)Cl)Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C#N)C

InChI

InChI=1S/C18H12Cl2N2O3S2/c1-3-25-18(24)14-8(2)11(7-21)17(27-14)22-16(23)15-13(20)10-5-4-9(19)6-12(10)26-15/h4-6H,3H2,1-2H3,(H,22,23)