cyclohexanamine; 2-[3-cyclohexyl-2-(3-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid

Systemtic Name: cyclohexanamine; 2-[3-cyclohexyl-2-(3-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoic acid Openeye Name: cyclohexanamine; 2-[3-cyclohexyl-2-(3-methoxyphenyl)imino-4-oxo-thiazolidin-5-yl]acetic acid CAS Name: cyclohexanamine; 2-[3-cyclohexyl-2-(3-methoxyphenyl)imino-4-oxo-5-thiazolidinyl]acetic acid IUPAC Name: cyclohexanamine; 2-[3-cyclohexyl-2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid Traditional Name: cyclohexylamine; 2-[3-cyclohexyl-4-keto-2-(3-methoxyphenyl)imino-thiazolidin-5-yl]acetic acid Formula: C24H35N3O4S MolecularWeight: 461.6174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C2N(C(=O)C(S2)CC(=O)O)C3CCCCC3.C1CCC(CC1)N

Isomeric SMILES

COC1=CC=CC(=C1)N=C2N(C(=O)C(S2)CC(=O)O)C3CCCCC3.C1CCC(CC1)N

InChI

InChI=1S/C18H22N2O4S.C6H13N/c1-24-14-9-5-6-12(10-14)19-18-20(13-7-3-2-4-8-13)17(23)15(25-18)11-16(21)22;7-6-4-2-1-3-5-6/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,21,22);6H,1-5,7H2