but-2-enedioic acid; N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

Systemtic Name: but-2-enedioic acid; N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine Openeye Name: but-2-enedioic acid; N,N-dimethyl-N'-(2-pyridyl)-N'-(2-thienylmethyl)ethane-1,2-diamine CAS Name: but-2-enedioic acid; N,N-dimethyl-N'-(2-pyridinyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine IUPAC Name: but-2-enedioic acid; N,N-dimethyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine Traditional Name: but-2-enedioic acid; dimethyl-[2-[2-pyridyl(2-thenyl)amino]ethyl]amine Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C14H19N3S.C4H4O4/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;5-3(6)1-2-4(7)8/h3-8,11H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)