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

Systemtic Name: methyl 2-[3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C30H25N5O3S3 MolecularWeight: 599.7462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=C(C(=C(C(=N4)N)C#N)C5=CC=CS5)C#N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCSC4=C(C(=C(C(=N4)N)C#N)C5=CC=CS5)C#N

InChI

InChI=1S/C30H25N5O3S3/c1-38-30(37)26-19-10-9-18(17-6-3-2-4-7-17)14-23(19)41-29(26)34-24(36)11-13-40-28-21(16-32)25(22-8-5-12-39-22)20(15-31)27(33)35-28/h2-8,12,18H,9-11,13-14H2,1H3,(H2,33,35)(H,34,36)