(1S,6R)-6-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(4-phenylthiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[oxo-[(4-phenyl-2-thiazolyl)amino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(4-phenylthiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC(=CS2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC(=CS2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H16N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-7,10,12-13H,8-9H2,(H,21,22)(H,18,19,20)/t12-,13+/m1/s1