1-(2-methoxyphenyl)-5-(3-methylsulfanylpropyl)-3-(naphthalen-2-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropyl)-3-(naphthalen-2-ylmethyl)-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropyl)-3-(2-naphthylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(2-methoxyphenyl)-5-[3-(methylthio)propyl]-3-(2-naphthalenylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropyl)-3-(naphthalen-2-ylmethyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-1-(2-methoxyphenyl)-5-[3-(methylthio)propyl]-3-(2-naphthylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CCCSC)C(N2)(CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2C3C(C(=O)N(C3=O)CCCSC)C(N2)(CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C29H30N2O5S/c1-36-22-11-6-5-10-21(22)25-23-24(27(33)31(26(23)32)14-7-15-37-2)29(30-25,28(34)35)17-18-12-13-19-8-3-4-9-20(19)16-18/h3-6,8-13,16,23-25,30H,7,14-15,17H2,1-2H3,(H,34,35)