methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C29H27N3O5S2 MolecularWeight: 561.67178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC(=NC(=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC(=NC(=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H27N3O5S2/c1-4-24(39-25-15-21(30-17(2)31-25)18-8-6-5-7-9-18)27(33)32-28-26(29(34)35-3)20(16-38-28)19-10-11-22-23(14-19)37-13-12-36-22/h5-11,14-16,24H,4,12-13H2,1-3H3,(H,32,33)