cyclohexanamine; 3-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid

Systemtic Name: cyclohexanamine; 3-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpropanoic acid Openeye Name: cyclohexanamine; 3-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylpropanoic acid CAS Name: cyclohexanamine; 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: cyclohexanamine; 3-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 3-[[1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid; cyclohexylamine Formula: C22H30N2O6S MolecularWeight: 450.5484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC(=O)O.C1CCC(CC1)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCCC(=O)O.C1CCC(CC1)N

InChI

InChI=1S/C16H17NO6S.C6H13N/c1-2-23-16(22)10-3-5-11(6-4-10)17-13(18)9-12(15(17)21)24-8-7-14(19)20;7-6-4-2-1-3-5-6/h3-6,12H,2,7-9H2,1H3,(H,19,20);6H,1-5,7H2