prop-2-enyl 6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: prop-2-enyl 6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: allyl 6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: 6-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: 6-(1,3-benzothiazol-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid allyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1CC=CCC1C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCOC(=O)C1CC=CCC1C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O3S/c1-2-11-23-17(22)13-8-4-3-7-12(13)16(21)20-18-19-14-9-5-6-10-15(14)24-18/h2-6,9-10,12-13H,1,7-8,11H2,(H,19,20,21)