(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)OC(C)C

InChI

InChI=1S/C21H23NO5S/c1-14(2)27-20(24)12-26-21(25)17-6-4-5-7-18(17)28-13-19(23)22-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3,(H,22,23)