ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(6-methylpyrimidin-4-yl)thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC=NC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NC=NC(=C3)C

InChI

InChI=1S/C20H19N3O3S2/c1-3-26-20(25)15-10-16(14-7-5-4-6-8-14)28-19(15)23-17(24)11-27-18-9-13(2)21-12-22-18/h4-10,12H,3,11H2,1-2H3,(H,23,24)