(1R,6S)-6-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(5-ethyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C2CC(=C(CC2C(=O)O)C)C)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)[C@H]2CC(=C(C[C@H]2C(=O)O)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-4-17-18(14-8-6-5-7-9-14)22-21(27-17)23-19(24)15-10-12(2)13(3)11-16(15)20(25)26/h5-9,15-16H,4,10-11H2,1-3H3,(H,25,26)(H,22,23,24)/t15-,16+/m0/s1