(E)-4-[(1-azanyl-2,3-dimethyl-1-sulfanylidene-butan-2-yl)amino]-2,3-dimethyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(1-azanyl-2,3-dimethyl-1-sulfanylidene-butan-2-yl)amino]-2,3-dimethyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(1-carbamothioyl-1,2-dimethyl-propyl)amino]-2,3-dimethyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(1-amino-2,3-dimethyl-1-sulfanylidenebutan-2-yl)amino]-2,3-dimethyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(1-amino-2,3-dimethyl-1-sulfanylidenebutan-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(1,2-dimethyl-1-thiocarbamoyl-propyl)amino]-4-keto-2,3-dimethyl-but-2-enoic acid Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=S)N)NC(=O)C(=C(C)C(=O)O)C

Isomeric SMILES

CC(C)C(C)(C(=S)N)NC(=O)/C(=C(\C)/C(=O)O)/C

InChI

InChI=1S/C12H20N2O3S/c1-6(2)12(5,11(13)18)14-9(15)7(3)8(4)10(16)17/h6H,1-5H3,(H2,13,18)(H,14,15)(H,16,17)/b8-7+