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

Systemtic Name: ethyl 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H25N3O3S2/c1-3-30-24(29)22-17-11-7-8-12-19(17)32-23(22)27-20(28)14-31-21-13-18(25-15(2)26-21)16-9-5-4-6-10-16/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3,(H,27,28)