4,6-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 4,6-bis(oxidanylidene)-3-(phenylmethoxymethyl)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-(benzyloxymethyl)-4,6-dioxo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 4,6-dioxo-3-(phenylmethoxymethyl)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 4,6-dioxo-3-(phenylmethoxymethyl)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(benzoxymethyl)-4,6-diketo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2(C3C(C(N2)C4=CC=CS4)C(=O)NC3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC2(C3C(C(N2)C4=CC=CS4)C(=O)NC3=O)C(=O)O

InChI

InChI=1S/C19H18N2O5S/c22-16-13-14(17(23)20-16)19(18(24)25,21-15(13)12-7-4-8-27-12)10-26-9-11-5-2-1-3-6-11/h1-8,13-15,21H,9-10H2,(H,24,25)(H,20,22,23)