N-methyl-4-nitro-aniline; (3R)-3-thiophen-2-ylsulfanylbutanoic acid

Systemtic Name: N-methyl-4-nitro-aniline; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Openeye Name: N-methyl-4-nitro-aniline; (3R)-3-(2-thienylsulfanyl)butanoic acid CAS Name: N-methyl-4-nitroaniline; (3R)-3-(thiophen-2-ylthio)butanoic acid IUPAC Name: N-methyl-4-nitroaniline; (3R)-3-thiophen-2-ylsulfanylbutanoic acid Traditional Name: methyl-(4-nitrophenyl)amine; (3R)-3-(2-thienylthio)butyric acid Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=CC=CS1.CNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](CC(=O)O)SC1=CC=CS1.CNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H10O2S2.C7H8N2O2/c1-6(5-7(9)10)12-8-3-2-4-11-8;1-8-6-2-4-7(5-3-6)9(10)11/h2-4,6H,5H2,1H3,(H,9,10);2-5,8H,1H3/t6-;/m1./s1