O-(1-hydroxyethyl) 4-methyl-5-phenyl-3-(prop-2-enylamino)pentanethioate

Systemtic Name: O-(1-hydroxyethyl) 4-methyl-5-phenyl-3-(prop-2-enylamino)pentanethioate Openeye Name: O-(1-hydroxyethyl) 3-(allylamino)-4-methyl-5-phenyl-pentanethioate CAS Name: 4-methyl-5-phenyl-3-(prop-2-enylamino)pentanethioic acid O-(1-hydroxyethyl) ester IUPAC Name: O-(1-hydroxyethyl) 4-methyl-5-phenyl-3-(prop-2-enylamino)pentanethioate Traditional Name: 3-(allylamino)-4-methyl-5-phenyl-pentanethioic acid O-(1-hydroxyethyl) ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CC(=S)OC(C)O)NCC=C

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CC(=S)OC(C)O)NCC=C

InChI

InChI=1S/C17H25NO2S/c1-4-10-18-16(12-17(21)20-14(3)19)13(2)11-15-8-6-5-7-9-15/h4-9,13-14,16,18-19H,1,10-12H2,2-3H3