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

Systemtic Name: 3-[(4-nitrophenyl)methyl]-5-oct-3-enyl-4,6-bis(oxidanylidene)-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)methyl]-5-oct-3-enyl-4,6-dioxo-1-thiazol-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-[(4-nitrophenyl)methyl]-5-oct-3-enyl-4,6-dioxo-1-(2-thiazolyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-[(4-nitrophenyl)methyl]-5-oct-3-enyl-4,6-dioxo-1-(1,3-thiazol-2-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-3-(4-nitrobenzyl)-5-oct-3-enyl-1-thiazol-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H28N4O6S MolecularWeight: 512.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCN1C(=O)C2C(C1=O)C(NC2C3=NC=CS3)(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC=CCCN1C(=O)C2C(C1=O)C(NC2C3=NC=CS3)(CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C25H28N4O6S/c1-2-3-4-5-6-7-13-28-22(30)18-19(23(28)31)25(24(32)33,27-20(18)21-26-12-14-36-21)15-16-8-10-17(11-9-16)29(34)35/h5-6,8-12,14,18-20,27H,2-4,7,13,15H2,1H3,(H,32,33)