2-[(2,2-dimethyl-5-oxidanylidene-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl)carbonylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[(2,2-dimethyl-5-oxidanylidene-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindol-3-yl)carbonylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[(2,2-dimethyl-5-oxo-3,9b-dihydrothiazolo[2,3-a]isoindole-3-carbonyl)amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[(2,2-dimethyl-5-oxo-3,9b-dihydrothiazolo[2,3-a]isoindol-3-yl)-oxomethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[(2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carbonyl)amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[(5-keto-2,2-dimethyl-3,9b-dihydrothiazol[2,3-a]isoindole-3-carbonyl)amino]-3-(methylthio)propionic acid Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)NC(CSC)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C3=CC=CC=C3C2=O)C(=O)NC(CSC)C(=O)O)C

InChI

InChI=1S/C17H20N2O4S2/c1-17(2)12(13(20)18-11(8-24-3)16(22)23)19-14(21)9-6-4-5-7-10(9)15(19)25-17/h4-7,11-12,15H,8H2,1-3H3,(H,18,20)(H,22,23)