methyl 4-(4-fluorophenyl)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H16FN3O3S2 MolecularWeight: 417.477043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C19H16FN3O3S2/c1-11-7-8-21-19(22-11)28-10-15(24)23-17-16(18(25)26-2)14(9-27-17)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,23,24)