(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C20H20N2O4S2/c1-13(2)21-19(23)12-28-17-7-4-3-6-15(17)20(24)25-11-14-10-16(26-22-14)18-8-5-9-27-18/h3-10,13H,11-12H2,1-2H3,(H,21,23)