5-[2-(3-chloranyl-2-methyl-phenyl)sulfanylethyl]-3-oxidanyl-2-[(2E)-2-prop-2-enoxyiminopropyl]cyclohex-2-en-1-one

Systemtic Name: 5-[2-(3-chloranyl-2-methyl-phenyl)sulfanylethyl]-3-oxidanyl-2-[(2E)-2-prop-2-enoxyiminopropyl]cyclohex-2-en-1-one Openeye Name: 2-[(2E)-2-allyloxyiminopropyl]-5-[2-(3-chloro-2-methyl-phenyl)sulfanylethyl]-3-hydroxy-cyclohex-2-en-1-one CAS Name: 5-[2-[(3-chloro-2-methylphenyl)thio]ethyl]-3-hydroxy-2-[(2E)-2-prop-2-enoxyiminopropyl]-1-cyclohex-2-enone IUPAC Name: 5-[2-(3-chloro-2-methylphenyl)sulfanylethyl]-3-hydroxy-2-[(2E)-2-prop-2-enoxyiminopropyl]cyclohex-2-en-1-one Traditional Name: 2-[(2E)-2-allyloximinopropyl]-5-[2-[(3-chloro-2-methyl-phenyl)thio]ethyl]-3-hydroxy-cyclohex-2-en-1-one Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)SCCC2CC(=C(C(=O)C2)CC(=NOCC=C)C)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)SCCC2CC(=C(C(=O)C2)C/C(=N/OCC=C)/C)O

InChI

InChI=1S/C21H26ClNO3S/c1-4-9-26-23-14(2)11-17-19(24)12-16(13-20(17)25)8-10-27-21-7-5-6-18(22)15(21)3/h4-7,16,24H,1,8-13H2,2-3H3/b23-14+