2-[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[4-chloro-3-(thiophene-2-carbonylamino)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[4-chloro-3-(thiophene-2-carbonylamino)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-chloro-3-(2-thenoylamino)phenyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C20H10ClN2O5S- MolecularWeight: 425.8218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-])Cl

InChI

InChI=1S/C20H11ClN2O5S/c21-14-6-4-11(9-15(14)22-17(24)16-2-1-7-29-16)23-18(25)12-5-3-10(20(27)28)8-13(12)19(23)26/h1-9H,(H,22,24)(H,27,28)/p-1