1-[2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethanoylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[2-(4-methyl-2-oxo-thiazol-3-yl)acetyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[2-(4-methyl-2-oxo-3-thiazolyl)-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(2-keto-4-methyl-4-thiazolin-3-yl)acetyl]amino]cycloheptanecarboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1CC(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=CSC(=O)N1CC(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-10-9-21-13(20)16(10)8-11(17)15-14(12(18)19)6-4-2-3-5-7-14/h9H,2-8H2,1H3,(H,15,17)(H,18,19)