sulfanyl 4-methoxy-4-methyl-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2-(phenylmethyl)heptanoate

Systemtic Name: sulfanyl 4-methoxy-4-methyl-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2-(phenylmethyl)heptanoate Openeye Name: sulfanyl 2-benzyl-4-methoxy-4-methyl-2-[4-(m-tolyl)thiazol-2-yl]-3-oxo-heptanoate CAS Name: 4-methoxy-4-methyl-2-[4-(3-methylphenyl)-2-thiazolyl]-3-oxo-2-(phenylmethyl)heptanoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-4-methoxy-4-methyl-2-[4-(3-methylphenyl)-1,3-thiazol-2-yl]-3-oxoheptanoate Traditional Name: 2-benzyl-3-keto-4-methoxy-4-methyl-2-[4-(m-tolyl)thiazol-2-yl]enanthic acid mercapto ester Formula: C26H29NO4S2 MolecularWeight: 483.64276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)C(CC1=CC=CC=C1)(C2=NC(=CS2)C3=CC(=CC=C3)C)C(=O)OS)OC

Isomeric SMILES

CCCC(C)(C(=O)C(CC1=CC=CC=C1)(C2=NC(=CS2)C3=CC(=CC=C3)C)C(=O)OS)OC

InChI

InChI=1S/C26H29NO4S2/c1-5-14-25(3,30-4)22(28)26(24(29)31-32,16-19-11-7-6-8-12-19)23-27-21(17-33-23)20-13-9-10-18(2)15-20/h6-13,15,17,32H,5,14,16H2,1-4H3