(E)-but-2-enedioic acid; 1-(4-chlorophenyl)sulfanyl-N-methyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-chlorophenyl)sulfanyl-N-methyl-propan-2-amine Openeye Name: 1-(4-chlorophenyl)sulfanyl-N-methyl-propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[(4-chlorophenyl)thio]-N-methyl-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(4-chlorophenyl)sulfanyl-N-methylpropan-2-amine Traditional Name: [2-[(4-chlorophenyl)thio]-1-methyl-ethyl]-methyl-amine; fumaric acid Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)Cl)NC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CSC1=CC=C(C=C1)Cl)NC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H14ClNS.C4H4O4/c1-8(12-2)7-13-10-5-3-9(11)4-6-10;5-3(6)1-2-4(7)8/h3-6,8,12H,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+