1-(cyclohexylmethyl)-2-methyl-5-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-thiazol-4-yl]pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-thiazol-4-yl]-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazol-4-yl]pyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-5-[2-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-thiazolin-4-yl]-2-methyl-pyrrole-3-carboxylic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=C4C=CC(=O)C=C4)N3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=C4C=CC(=O)C=C4)N3)C(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-14-18(22(26)27)11-20(24(14)12-15-5-3-2-4-6-15)19-13-28-21(23-19)16-7-9-17(25)10-8-16/h7-11,13,15,23H,2-6,12H2,1H3,(H,26,27)