cyclohexanamine; 2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: cyclohexanamine; 2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: cyclohexanamine; 2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]acetic acid CAS Name: cyclohexanamine; 2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-5-thiazolidinyl]acetic acid IUPAC Name: cyclohexanamine; 2-[2-(2,6-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetic acid Traditional Name: cyclohexylamine; 2-[2-(2,6-dimethylphenyl)imino-4-keto-3-methyl-thiazolidin-5-yl]acetic acid Formula: C20H29N3O3S MolecularWeight: 391.52756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2N(C(=O)C(S2)CC(=O)O)C.C1CCC(CC1)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2N(C(=O)C(S2)CC(=O)O)C.C1CCC(CC1)N

InChI

InChI=1S/C14H16N2O3S.C6H13N/c1-8-5-4-6-9(2)12(8)15-14-16(3)13(19)10(20-14)7-11(17)18;7-6-4-2-1-3-5-6/h4-6,10H,7H2,1-3H3,(H,17,18);6H,1-5,7H2