[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O6S/c1-4-27-16-11-14(12-17(28-5-2)20(16)29-6-3)21(26)30-13-19(25)24-22-23-15-9-7-8-10-18(15)31-22/h7-12H,4-6,13H2,1-3H3,(H,23,24,25)