ethyl 4-cyano-5-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[2-(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)thio]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=C(C(=C(S2)C(=O)OCC)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(C)SC2=C(C(=C(S2)C(=O)OCC)C)C#N)C#N)C

InChI

InChI=1S/C21H21N3O5S3/c1-6-28-19(26)15-10(3)13(8-22)18(31-15)24-17(25)12(5)30-21-14(9-23)11(4)16(32-21)20(27)29-7-2/h12H,6-7H2,1-5H3,(H,24,25)