cyclohexylazanium; 2-[2-(3,5-dimethylphenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoate

Systemtic Name: cyclohexylazanium; 2-[2-(3,5-dimethylphenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoate Openeye Name: 2-[3-allyl-2-(3,5-dimethylphenyl)imino-4-oxo-thiazolidin-5-yl]acetate; cyclohexylammonium CAS Name: cyclohexylammonium; 2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-5-thiazolidinyl]acetate IUPAC Name: cyclohexylazanium; 2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetate Traditional Name: 2-[3-allyl-2-(3,5-dimethylphenyl)imino-4-keto-thiazolidin-5-yl]acetate; cyclohexylammonium Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N=C2N(C(=O)C(S2)CC(=O)[O-])CC=C)C.C1CCC(CC1)[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1)N=C2N(C(=O)C(S2)CC(=O)[O-])CC=C)C.C1CCC(CC1)[NH3+]

InChI

InChI=1S/C16H18N2O3S.C6H13N/c1-4-5-18-15(21)13(9-14(19)20)22-16(18)17-12-7-10(2)6-11(3)8-12;7-6-4-2-1-3-5-6/h4,6-8,13H,1,5,9H2,2-3H3,(H,19,20);6H,1-5,7H2