2-[1,1-bis(oxidanylidene)-2-(phenylmethyl)-3H-1,2-benzothiazol-3-yl]ethanoic acid

Systemtic Name: 2-[1,1-bis(oxidanylidene)-2-(phenylmethyl)-3H-1,2-benzothiazol-3-yl]ethanoic acid Openeye Name: 2-(2-benzyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)acetic acid CAS Name: 2-[1,1-dioxo-2-(phenylmethyl)-3H-1,2-benzothiazol-3-yl]acetic acid IUPAC Name: 2-(2-benzyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)acetic acid Traditional Name: 2-(2-benzyl-1,1-diketo-3H-1,2-benzothiazol-3-yl)acetic acid Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3S2(=O)=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C3=CC=CC=C3S2(=O)=O)CC(=O)O

InChI

InChI=1S/C16H15NO4S/c18-16(19)10-14-13-8-4-5-9-15(13)22(20,21)17(14)11-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,18,19)