methyl 4-(3-thiophen-2-ylcarbonylimino-1H-isoindol-2-yl)benzoate

Systemtic Name: methyl 4-(3-thiophen-2-ylcarbonylimino-1H-isoindol-2-yl)benzoate Openeye Name: methyl 4-[1-(thiophene-2-carbonylimino)isoindolin-2-yl]benzoate CAS Name: 4-[3-[oxo(thiophen-2-yl)methyl]imino-1H-isoindol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(thiophene-2-carbonylimino)-1H-isoindol-2-yl]benzoate Traditional Name: 4-[1-(2-thenoylimino)isoindolin-2-yl]benzoic acid methyl ester Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16N2O3S/c1-26-21(25)14-8-10-16(11-9-14)23-13-15-5-2-3-6-17(15)19(23)22-20(24)18-7-4-12-27-18/h2-12H,13H2,1H3