methyl 4-(2,5-dimethylphenyl)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,5-dimethylphenyl)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,5-dimethylphenyl)-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)-2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC=CC(=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=C2C(=O)OC)NC(=O)CSC3=NC=CC(=N3)C

InChI

InChI=1S/C21H21N3O3S2/c1-12-5-6-13(2)15(9-12)16-10-28-19(18(16)20(26)27-4)24-17(25)11-29-21-22-8-7-14(3)23-21/h5-10H,11H2,1-4H3,(H,24,25)