ethanedioic acid; 2-methyl-3-[methyl(phenethyl)amino]-1,1-dithiophen-2-yl-propan-1-ol

Systemtic Name: ethanedioic acid; 2-methyl-3-[methyl(phenethyl)amino]-1,1-dithiophen-2-yl-propan-1-ol Openeye Name: 2-methyl-3-[methyl(phenethyl)amino]-1,1-bis(2-thienyl)propan-1-ol; oxalic acid CAS Name: 2-methyl-3-[methyl(phenethyl)amino]-1,1-dithiophen-2-yl-1-propanol; oxalic acid IUPAC Name: 2-methyl-3-[methyl(phenethyl)amino]-1,1-dithiophen-2-ylpropan-1-ol; oxalic acid Traditional Name: 2-methyl-3-[methyl(phenethyl)amino]-1,1-bis(2-thienyl)propan-1-ol; oxalic acid Formula: C23H27NO5S2 MolecularWeight: 461.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CS2)(C3=CC=CS3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN(C)CCC1=CC=CC=C1)C(C2=CC=CS2)(C3=CC=CS3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NOS2.C2H2O4/c1-17(16-22(2)13-12-18-8-4-3-5-9-18)21(23,19-10-6-14-24-19)20-11-7-15-25-20;3-1(4)2(5)6/h3-11,14-15,17,23H,12-13,16H2,1-2H3;(H,3,4)(H,5,6)