1-(cyclohexylmethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid

Systemtic Name: 1-(cyclohexylmethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Openeye Name: 1-(cyclohexylmethyl)-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid CAS Name: 1-(cyclohexylmethyl)-2-methyl-5-[2-(2-pyrazinyl)-4-thiazolyl]-3-pyrrolecarboxylic acid IUPAC Name: 1-(cyclohexylmethyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxylic acid Traditional Name: 1-(cyclohexylmethyl)-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxylic acid Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=NC=CN=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CC2CCCCC2)C3=CSC(=N3)C4=NC=CN=C4)C(=O)O

InChI

InChI=1S/C20H22N4O2S/c1-13-15(20(25)26)9-18(24(13)11-14-5-3-2-4-6-14)17-12-27-19(23-17)16-10-21-7-8-22-16/h7-10,12,14H,2-6,11H2,1H3,(H,25,26)