N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanamide

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(3-tert-butylisoxazol-5-yl)acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-N-(3-tert-butylisoxazol-5-yl)acetamide Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CN(CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H22ClN3O2S/c1-5-8-21(10-12-6-7-14(18)24-12)11-15(22)19-16-9-13(20-23-16)17(2,3)4/h5-7,9H,1,8,10-11H2,2-4H3,(H,19,22)