[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 2-hydroxy-4-methoxy-benzoate CAS Name: 2-hydroxy-4-methoxybenzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate Traditional Name: 2-hydroxy-4-methoxy-benzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=C(C=C(C=C3)OC)O

InChI

InChI=1S/C20H20N2O5S/c1-12(19-21-15-6-4-5-7-17(15)28-19)22(2)18(24)11-27-20(25)14-9-8-13(26-3)10-16(14)23/h4-10,12,23H,11H2,1-3H3/t12-/m1/s1