ethanedioic acid; 3-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline

Systemtic Name: ethanedioic acid; 3-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline Openeye Name: 3-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline; oxalic acid CAS Name: 3-(methylthio)-N-(2-morpholinylmethyl)aniline; oxalic acid IUPAC Name: 3-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline; oxalic acid Traditional Name: [3-(methylthio)phenyl]-(morpholin-2-ylmethyl)amine; oxalic acid Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2CNCCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2CNCCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2OS.C2H2O4/c1-16-12-4-2-3-10(7-12)14-9-11-8-13-5-6-15-11;3-1(4)2(5)6/h2-4,7,11,13-14H,5-6,8-9H2,1H3;(H,3,4)(H,5,6)