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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S2/c1-5-17(20(26)25-21-19(22(27)28-4)13(2)14(3)29-21)30-18-11-16(23-12-24-18)15-9-7-6-8-10-15/h6-12,17H,5H2,1-4H3,(H,25,26)