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

Systemtic Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC=NC(=C3)C

InChI

InChI=1S/C22H23N3O3S2/c1-4-17(30-18-11-14(3)23-13-24-18)20(26)25-21-19(22(27)28-5-2)16(12-29-21)15-9-7-6-8-10-15/h6-13,17H,4-5H2,1-3H3,(H,25,26)