[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)O[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

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