ethyl 4-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)carbamoyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-[(3-cyano-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophen-2-yl)carbamoyl]-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophen-2-yl)carbamoyl]-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-methyl-thiophene-2-carboxylate CAS Name: 4-[[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)amino]-oxomethyl]-5-[(2-ethoxy-2-oxoethyl)thio]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophen-2-yl)carbamoyl]-5-(2-ethoxy-2-oxoethyl)sulfanyl-3-methylthiophene-2-carboxylate Traditional Name: 4-[(3-cyano-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophen-2-yl)carbamoyl]-5-[(2-ethoxy-2-keto-ethyl)thio]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H26N2O6S3 MolecularWeight: 534.66804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)C)C(=O)NC2=C(C3=C(S2)C(=O)CC(C3)(C)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C(S1)C(=O)OCC)C)C(=O)NC2=C(C3=C(S2)C(=O)CC(C3)(C)C)C#N

InChI

InChI=1S/C24H26N2O6S3/c1-6-31-16(28)11-33-23-17(12(3)18(35-23)22(30)32-7-2)20(29)26-21-14(10-25)13-8-24(4,5)9-15(27)19(13)34-21/h6-9,11H2,1-5H3,(H,26,29)