(1S,6R)-6-[(4,5-diphenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4,5-diphenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4,5-diphenylthiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[(4,5-diphenyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4,5-diphenyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4,5-diphenylthiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C23H19N2O3S- MolecularWeight: 403.47356

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H20N2O3S/c26-21(17-13-7-8-14-18(17)22(27)28)25-23-24-19(15-9-3-1-4-10-15)20(29-23)16-11-5-2-6-12-16/h1-12,17-18H,13-14H2,(H,27,28)(H,24,25,26)/p-1/t17-,18+/m1/s1