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

Systemtic Name: (1S,6R)-6-[[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[4-(4-isopropylphenyl)-5-methyl-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[5-methyl-4-(4-propan-2-ylphenyl)-2-thiazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(5-methyl-4-p-cumenyl-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H23N2O3S- MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2CC=CCC2C(=O)[O-])C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H24N2O3S/c1-12(2)14-8-10-15(11-9-14)18-13(3)27-21(22-18)23-19(24)16-6-4-5-7-17(16)20(25)26/h4-5,8-12,16-17H,6-7H2,1-3H3,(H,25,26)(H,22,23,24)/p-1/t16-,17+/m1/s1