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

Systemtic Name: ethyl 2-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C33H29N5O3S2 MolecularWeight: 607.74506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H29N5O3S2/c1-2-41-33(40)29-23-14-13-22(20-9-5-3-6-10-20)17-26(23)43-32(29)37-27(39)15-16-42-31-25(19-35)28(21-11-7-4-8-12-21)24(18-34)30(36)38-31/h3-12,22H,2,13-17H2,1H3,(H2,36,38)(H,37,39)