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

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic 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-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-14(2)16-9-11-17(12-10-16)22(26)27-13-20(25)24(4)15(3)21-23-18-7-5-6-8-19(18)28-21/h5-12,14-15H,13H2,1-4H3/t15-/m1/s1