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

Systemtic Name: (1S,6S)-6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[3-(thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[oxo-[3-[oxo-(2-thiazolylamino)methyl]anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[3-(thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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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=CC[C@@H]([C@H]1C(=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)/p-1/t13-,14-/m0/s1