O1-methyl O3-(phenylmethyl) 2-[1-(benzenecarbonothioylamino)octyl]propanedioate

Systemtic Name: O1-methyl O3-(phenylmethyl) 2-[1-(benzenecarbonothioylamino)octyl]propanedioate Openeye Name: O1-benzyl O3-methyl 2-[1-(benzenecarbonothioylamino)octyl]propanedioate CAS Name: 2-[1-(benzenecarbonothioylamino)octyl]propanedioic acid O1-methyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-methyl 2-[1-(benzenecarbonothioylamino)octyl]propanedioate Traditional Name: 2-[1-(benzenecarbonothioylamino)octyl]malonic acid O1-benzyl ester O3-methyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(C(=O)OC)C(=O)OCC1=CC=CC=C1)NC(=S)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(C(C(=O)OC)C(=O)OCC1=CC=CC=C1)NC(=S)C2=CC=CC=C2

InChI

InChI=1S/C26H33NO4S/c1-3-4-5-6-13-18-22(27-24(32)21-16-11-8-12-17-21)23(25(28)30-2)26(29)31-19-20-14-9-7-10-15-20/h7-12,14-17,22-23H,3-6,13,18-19H2,1-2H3,(H,27,32)