(1S,6S)-6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H17N2O3S- MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C(=O)[O-]

InChI

InChI=1S/C21H18N2O3S/c24-19(15-5-1-2-6-16(15)21(25)26)22-14-11-9-13(10-12-14)20-23-17-7-3-4-8-18(17)27-20/h1-4,7-12,15-16H,5-6H2,(H,22,24)(H,25,26)/p-1/t15-,16-/m0/s1