(2S)-2-[(4-methylphenyl)sulfonylamino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: (2S)-2-(p-tolylsulfonylamino)-3-(6-thioxocyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: (2S)-3-(6-thioxocyclohexa-1,3-dien-1-yl)-2-(tosylamino)propionic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CCC2=S)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CCC2=S)C(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-11-6-8-13(9-7-11)23(20,21)17-14(16(18)19)10-12-4-2-3-5-15(12)22/h2-4,6-9,14,17H,5,10H2,1H3,(H,18,19)/t14-/m0/s1