2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-(1,2-dithiolan-4-ylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-(1,2-dithiolan-4-ylcarbonyl)amino]ethanoic acid Openeye Name: 2-[(5,6-dimethoxyindan-1-yl)-(dithiolane-4-carbonyl)amino]acetic acid CAS Name: 2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-[4-dithiolanyl(oxo)methyl]amino]acetic acid IUPAC Name: 2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-(dithiolane-4-carbonyl)amino]acetic acid Traditional Name: 2-[(5,6-dimethoxyindan-1-yl)-(dithiolane-4-carbonyl)amino]acetic acid Formula: C17H21NO5S2 MolecularWeight: 383.48234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(CCC2=C1)N(CC(=O)O)C(=O)C3CSSC3)OC

Isomeric SMILES

COC1=C(C=C2C(CCC2=C1)N(CC(=O)O)C(=O)C3CSSC3)OC

InChI

InChI=1S/C17H21NO5S2/c1-22-14-5-10-3-4-13(12(10)6-15(14)23-2)18(7-16(19)20)17(21)11-8-24-25-9-11/h5-6,11,13H,3-4,7-9H2,1-2H3,(H,19,20)