(2Z)-4-[2-(3-chloranyl-2-methyl-phenyl)sulfanylethyl]-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione

Systemtic Name: (2Z)-4-[2-(3-chloranyl-2-methyl-phenyl)sulfanylethyl]-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione Openeye Name: (2Z)-2-[1-(allyloxyamino)propylidene]-4-[2-(3-chloro-2-methyl-phenyl)sulfanylethyl]cyclohexane-1,3-dione CAS Name: (2Z)-4-[2-[(3-chloro-2-methylphenyl)thio]ethyl]-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione IUPAC Name: (2Z)-4-[2-(3-chloro-2-methylphenyl)sulfanylethyl]-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione Traditional Name: (2Z)-2-[1-(allyloxyamino)propylidene]-4-[2-[(3-chloro-2-methyl-phenyl)thio]ethyl]cyclohexane-1,3-quinone Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CCC(C1=O)CCSC2=C(C(=CC=C2)Cl)C)NOCC=C

Isomeric SMILES

CC/C(=C/1\C(=O)CCC(C1=O)CCSC2=C(C(=CC=C2)Cl)C)/NOCC=C

InChI

InChI=1S/C21H26ClNO3S/c1-4-12-26-23-17(5-2)20-18(24)10-9-15(21(20)25)11-13-27-19-8-6-7-16(22)14(19)3/h4,6-8,15,23H,1,5,9-13H2,2-3H3/b20-17-