ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H25N3O5S2 MolecularWeight: 571.6666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C30H25N3O5S2/c1-4-36-30(35)27-17(2)18(3)40-29(27)33-26(34)15-39-28-22(14-31)21(13-23(32-28)19-8-6-5-7-9-19)20-10-11-24-25(12-20)38-16-37-24/h5-13H,4,15-16H2,1-3H3,(H,33,34)