phenacyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butanoate

Systemtic Name: phenacyl (2S)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-butanoate Openeye Name: phenacyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butyric acid phenacyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H20N2O5S/c1-13(2)18(20(24)27-12-16(23)14-8-4-3-5-9-14)21-19-15-10-6-7-11-17(15)28(25,26)22-19/h3-11,13,18H,12H2,1-2H3,(H,21,22)/t18-/m0/s1