2-(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(3-carbomethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O

InChI

InChI=1S/C25H19NO6S/c1-32-25(31)20-17-10-7-14(13-5-3-2-4-6-13)12-19(17)33-23(20)26-21(27)16-9-8-15(24(29)30)11-18(16)22(26)28/h2-6,8-9,11,14H,7,10,12H2,1H3,(H,29,30)