N-aminocarbonyl-3-methyl-2-phenylsulfanyl-butanamide; ethanedioic acid

Systemtic Name: N-aminocarbonyl-3-methyl-2-phenylsulfanyl-butanamide; ethanedioic acid Openeye Name: N-carbamoyl-3-methyl-2-phenylsulfanyl-butanamide; oxalic acid CAS Name: N-carbamoyl-3-methyl-2-(phenylthio)butanamide; oxalic acid IUPAC Name: N-carbamoyl-3-methyl-2-phenylsulfanylbutanamide; oxalic acid Traditional Name: N-carbamoyl-3-methyl-2-(phenylthio)butyramide; oxalic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=CC=CC=C1.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=CC=CC=C1.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H16N2O2S.C2H2O4/c1-8(2)10(11(15)14-12(13)16)17-9-6-4-3-5-7-9;3-1(4)2(5)6/h3-8,10H,1-2H3,(H3,13,14,15,16);(H,3,4)(H,5,6)