methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=NC=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3S2/c1-12-13(2)29-20(18(12)21(26)27-4)24-19(25)14(3)28-17-10-16(22-11-23-17)15-8-6-5-7-9-15/h5-11,14H,1-4H3,(H,24,25)