(2-benzamido-2-oxidanylidene-ethyl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (2-benzamido-2-oxo-ethyl) 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5S/c1-14(2)22-19(25)13-29-17-11-7-6-10-16(17)21(27)28-12-18(24)23-20(26)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,25)(H,23,24,26)