ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O5S2/c1-4-28-21(27)19-12(2)13(3)32-20(19)25-18(26)10-31-22-23-8-7-15(24-22)14-5-6-16-17(9-14)30-11-29-16/h5-9H,4,10-11H2,1-3H3,(H,25,26)