[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-27-16-10-9-14(11-17(16)26-3)21(25)28-13-20(24)23(2)12-19-22-15-7-5-6-8-18(15)29-19/h5-11H,4,12-13H2,1-3H3