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

Systemtic Name: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,3-diketo-isoindoline-5-carboxylate Formula: C18H11N2O4S- MolecularWeight: 351.35594

Click to see the large picture

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)/p-1