2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3,4-diethoxybenzoate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 3,4-diethoxybenzoate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCCN2C(=O)C3=CC=CC=C3S2(=O)=O)OCC

InChI

InChI=1S/C20H21NO7S/c1-3-26-16-10-9-14(13-17(16)27-4-2)20(23)28-12-11-21-19(22)15-7-5-6-8-18(15)29(21,24)25/h5-10,13H,3-4,11-12H2,1-2H3