methyl 2-[(4-methoxyphenyl)methyl]-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-3-carboxylate

Systemtic Name: methyl 2-[(4-methoxyphenyl)methyl]-1,1-bis(oxidanylidene)-3H-1,2-benzothiazole-3-carboxylate Openeye Name: methyl 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate CAS Name: 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazole-3-carboxylate Traditional Name: 1,1-diketo-2-p-anisyl-3H-1,2-benzothiazole-3-carboxylic acid methyl ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3S2(=O)=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(C3=CC=CC=C3S2(=O)=O)C(=O)OC

InChI

InChI=1S/C17H17NO5S/c1-22-13-9-7-12(8-10-13)11-18-16(17(19)23-2)14-5-3-4-6-15(14)24(18,20)21/h3-10,16H,11H2,1-2H3