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

Systemtic Name: 1-(3-methoxy-2-phenylmethoxy-phenyl)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-benzyloxy-3-methoxy-phenyl)-5-[2-(4-methylthiazol-5-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-5-[2-(4-methyl-5-thiazolyl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(3-methoxy-2-phenylmethoxyphenyl)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-[(4-nitrophenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-3-methoxy-phenyl)-4,6-diketo-5-[2-(4-methylthiazol-5-yl)ethyl]-3-(4-nitrobenzyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C34H32N4O8S MolecularWeight: 656.70488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCN2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC=N1)CCN2C(=O)C3C(C2=O)C(NC3C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)(CC6=CC=C(C=C6)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C34H32N4O8S/c1-20-26(47-19-35-20)15-16-37-31(39)27-28(32(37)40)34(33(41)42,17-21-11-13-23(14-12-21)38(43)44)36-29(27)24-9-6-10-25(45-2)30(24)46-18-22-7-4-3-5-8-22/h3-14,19,27-29,36H,15-18H2,1-2H3,(H,41,42)