(Z)-but-2-enedioic acid; 2-methyl-1,1-diphenyl-3-(thiophen-2-ylmethylamino)propan-1-ol

Systemtic Name: (Z)-but-2-enedioic acid; 2-methyl-1,1-diphenyl-3-(thiophen-2-ylmethylamino)propan-1-ol Openeye Name: maleic acid; 2-methyl-1,1-diphenyl-3-(2-thienylmethylamino)propan-1-ol CAS Name: (Z)-2-butenedioic acid; 2-methyl-1,1-diphenyl-3-(thiophen-2-ylmethylamino)-1-propanol IUPAC Name: (Z)-but-2-enedioic acid; 2-methyl-1,1-diphenyl-3-(thiophen-2-ylmethylamino)propan-1-ol Traditional Name: maleic acid; 2-methyl-1,1-diphenyl-3-(2-thenylamino)propan-1-ol Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=CC=CS1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CNCC1=CC=CS1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23NOS.C4H4O4/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19;5-3(6)1-2-4(7)8/h2-14,17,22-23H,15-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-