1,3-benzothiazol-2-ylmethyl 3-methoxy-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methoxy-4-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[2-(isopropylamino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate Traditional Name: 4-[2-(isopropylamino)-2-keto-ethoxy]-3-methoxy-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H22N2O5S/c1-13(2)22-19(24)11-27-16-9-8-14(10-17(16)26-3)21(25)28-12-20-23-15-6-4-5-7-18(15)29-20/h4-10,13H,11-12H2,1-3H3,(H,22,24)