6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3-(thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[3-[oxo-(2-thiazolylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-(thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=CS3)C(=O)O

InChI

InChI=1S/C18H17N3O4S/c22-15(21-18-19-8-9-26-18)11-4-3-5-12(10-11)20-16(23)13-6-1-2-7-14(13)17(24)25/h1-5,8-10,13-14H,6-7H2,(H,20,23)(H,24,25)(H,19,21,22)