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

Systemtic Name: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)C#N

InChI

InChI=1S/C18H12N2O4S/c19-8-13-10-3-1-2-4-14(10)25-17(13)20-15(21)11-6-5-9(18(23)24)7-12(11)16(20)22/h5-7H,1-4H2,(H,23,24)