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

Systemtic Name: methyl 4,5-dimethyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C16H19N3O3S2/c1-9-7-13(18-8-17-9)23-6-5-12(20)19-15-14(16(21)22-4)10(2)11(3)24-15/h7-8H,5-6H2,1-4H3,(H,19,20)