ethanedioic acid; N-[(3-methoxy-2-propan-2-yloxy-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine

Systemtic Name: ethanedioic acid; N-[(3-methoxy-2-propan-2-yloxy-phenyl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine Openeye Name: N-[(2-isopropoxy-3-methoxy-phenyl)methyl]-1,1-dioxo-thiolan-3-amine; oxalic acid CAS Name: N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1,1-dioxo-3-thiolanamine; oxalic acid IUPAC Name: N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1,1-dioxothiolan-3-amine; oxalic acid Traditional Name: (1,1-diketothiolan-3-yl)-(2-isopropoxy-3-methoxy-benzyl)amine; oxalic acid Formula: C17H25NO8S MolecularWeight: 403.4473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)CNC2CCS(=O)(=O)C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)CNC2CCS(=O)(=O)C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23NO4S.C2H2O4/c1-11(2)20-15-12(5-4-6-14(15)19-3)9-16-13-7-8-21(17,18)10-13;3-1(4)2(5)6/h4-6,11,13,16H,7-10H2,1-3H3;(H,3,4)(H,5,6)