methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanoylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propanoylamino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C25H27N3O3S2/c1-15-13-16(2)27-25(26-15)32-12-11-21(29)28-23-22(24(30)31-3)19-10-9-18(14-20(19)33-23)17-7-5-4-6-8-17/h4-8,13,18H,9-12,14H2,1-3H3,(H,28,29)