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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

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