2-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-[ethyl(veratryl)amino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC(C)C(=O)NC2=NOC(=C2)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CSC(C)C(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C20H27N3O5S/c1-6-23(11-15-7-8-16(26-4)17(10-15)27-5)19(24)12-29-14(3)20(25)21-18-9-13(2)28-22-18/h7-10,14H,6,11-12H2,1-5H3,(H,21,22,25)