(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-14(2)22-19(24)13-28-18-12-8-7-11-17(18)21(26)27-15(3)20(25)23-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,24)(H,23,25)