methyl 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylethanoyloxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-[2-[(4,6-diphenylpyrimidin-2-yl)thio]acetyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C29H22N4O5S2 MolecularWeight: 570.63878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O5S2/c1-37-27(36)20-12-13-21-24(14-20)40-29(30-21)33-25(34)16-38-26(35)17-39-28-31-22(18-8-4-2-5-9-18)15-23(32-28)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,30,33,34)