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

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic 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] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4S/c1-13(19-21-16-5-3-4-6-17(16)27-19)22(2)18(24)12-26-20(25)15-9-7-14(11-23)8-10-15/h3-11,13H,12H2,1-2H3/t13-/m1/s1