methyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylamino]benzoate

Systemtic Name: methyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylamino]benzoate Openeye Name: methyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate CAS Name: 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate Traditional Name: 4-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methylamino]benzoic acid methyl ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H14N2O5S/c1-23-16(20)11-6-8-12(9-7-11)17-10-18-15(19)13-4-2-3-5-14(13)24(18,21)22/h2-9,17H,10H2,1H3