2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-cyclohexyl-propanoic acid

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-cyclohexyl-propanoic acid Openeye Name: 3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid CAS Name: 3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid IUPAC Name: 3-cyclohexyl-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid Traditional Name: 3-cyclohexyl-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H20N2O4S/c19-16(20)13(10-11-6-2-1-3-7-11)17-15-12-8-4-5-9-14(12)23(21,22)18-15/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,17,18)(H,19,20)