3-(carboxymethyl)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,6-bis(oxidanylidene)-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,6-bis(oxidanylidene)-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-[2-(4-methylthiazol-5-yl)ethyl]-4,6-dioxo-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(carboxymethyl)-5-[2-(4-methyl-5-thiazolyl)ethyl]-4,6-dioxo-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-(carboxymethyl)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,6-dioxo-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(carboxymethyl)-4,6-diketo-5-[2-(4-methylthiazol-5-yl)ethyl]-1-(4-phenoxyphenyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C27H25N3O7S MolecularWeight: 535.5683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)OC5=CC=CC=C5)(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC=N1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC=C(C=C4)OC5=CC=CC=C5)(CC(=O)O)C(=O)O

InChI

InChI=1S/C27H25N3O7S/c1-15-19(38-14-28-15)11-12-30-24(33)21-22(25(30)34)27(26(35)36,13-20(31)32)29-23(21)16-7-9-18(10-8-16)37-17-5-3-2-4-6-17/h2-10,14,21-23,29H,11-13H2,1H3,(H,31,32)(H,35,36)