methyl 1,1-bis(oxidanylidene)-3-(phenylmethyl)-2H-1,2-benzothiazole-3-carboxylate

Systemtic Name: methyl 1,1-bis(oxidanylidene)-3-(phenylmethyl)-2H-1,2-benzothiazole-3-carboxylate Openeye Name: methyl 3-benzyl-1,1-dioxo-2H-1,2-benzothiazole-3-carboxylate CAS Name: 1,1-dioxo-3-(phenylmethyl)-2H-1,2-benzothiazole-3-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-1,1-dioxo-2H-1,2-benzothiazole-3-carboxylate Traditional Name: 3-benzyl-1,1-diketo-2H-1,2-benzothiazole-3-carboxylic acid methyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2=CC=CC=C2S(=O)(=O)N1)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(C2=CC=CC=C2S(=O)(=O)N1)CC3=CC=CC=C3

InChI

InChI=1S/C16H15NO4S/c1-21-15(18)16(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)22(19,20)17-16/h2-10,17H,11H2,1H3