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

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-keto-2-[methyl(veratryl)amino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N(C)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H23N3O5S/c1-12-7-16(20-26-12)19-17(22)10-27-11-18(23)21(2)9-13-5-6-14(24-3)15(8-13)25-4/h5-8H,9-11H2,1-4H3,(H,19,20,22)