methyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanylpropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H23N5O3S3 MolecularWeight: 537.67682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

InChI

InChI=1S/C25H23N5O3S3/c1-13-3-4-15-18(9-13)36-24(21(15)25(32)33-2)29-19(31)6-8-35-23-17(11-27)20(14-5-7-34-12-14)16(10-26)22(28)30-23/h5,7,12-13H,3-4,6,8-9H2,1-2H3,(H2,28,30)(H,29,31)