methyl 4-cyano-5-[3-[3-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-5-[3-[3-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[3-[3-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-3-oxo-propyl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[[3-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[3-[3-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[[3-[(5-carbomethoxy-3-cyano-4-methyl-2-thienyl)amino]-3-keto-propyl]thio]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C22H22N4O6S3 MolecularWeight: 534.62828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCSCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCSCCC(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N)C(=O)OC

InChI

InChI=1S/C22H22N4O6S3/c1-11-13(9-23)19(34-17(11)21(29)31-3)25-15(27)5-7-33-8-6-16(28)26-20-14(10-24)12(2)18(35-20)22(30)32-4/h5-8H2,1-4H3,(H,25,27)(H,26,28)