1-(2-cyanophenyl)-5-(3-methylsulfanylpropyl)-4,6-bis(oxidanylidene)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(2-cyanophenyl)-5-(3-methylsulfanylpropyl)-4,6-bis(oxidanylidene)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-cyanophenyl)-5-(3-methylsulfanylpropyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-cyanophenyl)-5-[3-(methylthio)propyl]-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(2-cyanophenyl)-5-(3-methylsulfanylpropyl)-4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(2-cyanophenyl)-4,6-diketo-5-[3-(methylthio)propyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

CSCCCN1C(=O)C2C(C1=O)C(NC2C3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C18H19N3O4S/c1-26-8-4-7-21-16(22)12-13(17(21)23)15(18(24)25)20-14(12)11-6-3-2-5-10(11)9-19/h2-3,5-6,12-15,20H,4,7-8H2,1H3,(H,24,25)