ethyl 2-[2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(4-chlorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(4-chlorophenyl)phthalazin-1-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22ClN3O3S2 MolecularWeight: 512.04348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S2/c1-4-32-25(31)21-14(2)15(3)34-24(21)27-20(30)13-33-23-19-8-6-5-7-18(19)22(28-29-23)16-9-11-17(26)12-10-16/h5-12H,4,13H2,1-3H3,(H,27,30)