diethyl 5-[3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[3-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H29N5O5S2 MolecularWeight: 591.70106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)OCC)N)C#N

InChI

InChI=1S/C29H29N5O5S2/c1-5-17-8-10-18(11-9-17)23-19(14-30)25(32)34-26(20(23)15-31)40-13-12-21(35)33-27-22(28(36)38-6-2)16(4)24(41-27)29(37)39-7-3/h8-11H,5-7,12-13H2,1-4H3,(H2,32,34)(H,33,35)