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

Systemtic Name: 2-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(3-ethynylanilino)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(3-ethynylanilino)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(3-ethynylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(3-ethynylanilino)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C17H17N3O3S/c1-4-13-6-5-7-14(9-13)18-16(21)10-24-12(3)17(22)19-15-8-11(2)23-20-15/h1,5-9,12H,10H2,2-3H3,(H,18,21)(H,19,20,22)