[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-yloxybenzoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H22N2O4S/c1-4-23(21-22-17-7-5-6-8-18(17)28-21)19(24)13-26-20(25)15-9-11-16(12-10-15)27-14(2)3/h5-12,14H,4,13H2,1-3H3