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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H27N3O3S2/c1-4-31-25(30)22-18-12-8-9-13-20(18)33-24(22)28-23(29)15(2)32-21-14-19(26-16(3)27-21)17-10-6-5-7-11-17/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3,(H,28,29)