methyl (2S)-3-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: methyl (2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: (2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: (2S)-3-phenyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionic acid methyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C17H15NO5S/c1-23-17(20)14(11-12-7-3-2-4-8-12)18-16(19)13-9-5-6-10-15(13)24(18,21)22/h2-10,14H,11H2,1H3/t14-/m0/s1