[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO6S/c1-14(28-20(23)13-29-17-8-6-16(25-2)7-9-17)21(24)22-12-15-5-10-18(26-3)19(11-15)27-4/h5-11,14H,12-13H2,1-4H3,(H,22,24)/t14-/m1/s1