[(2S)-oxolan-2-yl]methyl (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [(2S)-oxolan-2-yl]methyl (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: [(2S)-tetrahydrofuran-2-yl]methyl (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid [(2S)-2-oxolanyl]methyl ester IUPAC Name: [(2S)-oxolan-2-yl]methyl (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid [(2S)-tetrahydrofuran-2-yl]methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)C2CC=CCC2C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](OC1)COC(=O)[C@H]2CC=CC[C@@H]2C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N2O4S/c23-18(22-20-21-16-9-3-4-10-17(16)27-20)14-7-1-2-8-15(14)19(24)26-12-13-6-5-11-25-13/h1-4,9-10,13-15H,5-8,11-12H2,(H,21,22,23)/t13-,14-,15-/m0/s1