1-(4-carbamimidoylphenyl)-5-methyl-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-carbamimidoylphenyl)-5-methyl-3-(2-methylsulfanylethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(4-carbamimidoylphenyl)-5-methyl-3-(2-methylsulfanylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(4-carbamimidoylphenyl)-5-methyl-3-[2-(methylthio)ethyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(4-carbamimidoylphenyl)-5-methyl-3-(2-methylsulfanylethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(4-amidinophenyl)-4,6-diketo-5-methyl-3-[2-(methylthio)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C(=N)N)(CCSC)C(=O)O

Isomeric SMILES

CN1C(=O)C2C(C1=O)C(NC2C3=CC=C(C=C3)C(=N)N)(CCSC)C(=O)O

InChI

InChI=1S/C18H22N4O4S/c1-22-15(23)11-12(16(22)24)18(17(25)26,7-8-27-2)21-13(11)9-3-5-10(6-4-9)14(19)20/h3-6,11-13,21H,7-8H2,1-2H3,(H3,19,20)(H,25,26)