O2-ethyl O4-methyl 5-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[2-(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C22H24N2O7S3 MolecularWeight: 524.63016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC(C)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC(C)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC)C#N)C

InChI

InChI=1S/C22H24N2O7S3/c1-7-30-20(27)15-10(3)13(9-23)22(34-15)32-12(5)17(25)24-18-14(19(26)29-6)11(4)16(33-18)21(28)31-8-2/h12H,7-8H2,1-6H3,(H,24,25)