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

Systemtic Name: ethyl 4-cyano-5-[3-[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-3-oxo-propyl]sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[[3-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[3-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[[3-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)amino]-3-keto-propyl]thio]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H26N4O6S3 MolecularWeight: 562.68144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C#N)C#N)C

InChI

InChI=1S/C24H26N4O6S3/c1-5-33-23(31)19-13(3)15(11-25)21(36-19)27-17(29)7-9-35-10-8-18(30)28-22-16(12-26)14(4)20(37-22)24(32)34-6-2/h5-10H2,1-4H3,(H,27,29)(H,28,30)