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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[(6-methyl-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-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S2/c1-4-18(33-19-9-13(2)24-12-25-19)21(27)26-22-20(23(28)29-3)15(11-32-22)14-5-6-16-17(10-14)31-8-7-30-16/h5-6,9-12,18H,4,7-8H2,1-3H3,(H,26,27)