5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrole-3-carboxylic acid

Systemtic Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrole-3-carboxylic acid Openeye Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-[(3-methyl-2-thienyl)methyl]pyrrole-3-carboxylic acid CAS Name: 5-[2-(4-methoxyphenyl)-4-thiazolyl]-2-methyl-1-[(3-methyl-2-thiophenyl)methyl]-3-pyrrolecarboxylic acid IUPAC Name: 5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrole-3-carboxylic acid Traditional Name: 5-[2-(4-methoxyphenyl)thiazol-4-yl]-2-methyl-1-[(3-methyl-2-thienyl)methyl]pyrrole-3-carboxylic acid Formula: C22H20N2O3S2 MolecularWeight: 424.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2C(=C(C=C2C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O)C

Isomeric SMILES

CC1=C(SC=C1)CN2C(=C(C=C2C3=CSC(=N3)C4=CC=C(C=C4)OC)C(=O)O)C

InChI

InChI=1S/C22H20N2O3S2/c1-13-8-9-28-20(13)11-24-14(2)17(22(25)26)10-19(24)18-12-29-21(23-18)15-4-6-16(27-3)7-5-15/h4-10,12H,11H2,1-3H3,(H,25,26)