tert-butyl (2Z)-3-oxidanylidene-2-[3-(thiophen-2-ylcarbonylamino)isoindol-1-ylidene]butanoate

Systemtic Name: tert-butyl (2Z)-3-oxidanylidene-2-[3-(thiophen-2-ylcarbonylamino)isoindol-1-ylidene]butanoate Openeye Name: tert-butyl (2Z)-3-oxo-2-[3-(thiophene-2-carbonylamino)isoindol-1-ylidene]butanoate CAS Name: (2Z)-3-oxo-2-[3-[[oxo(thiophen-2-yl)methyl]amino]-1-isoindolylidene]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-3-oxo-2-[3-(thiophene-2-carbonylamino)isoindol-1-ylidene]butanoate Traditional Name: (2Z)-3-keto-2-[3-(2-thenoylamino)isoindol-1-ylidene]butyric acid tert-butyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)/C(=C/1\C2=CC=CC=C2C(=N1)NC(=O)C3=CC=CS3)/C(=O)OC(C)(C)C

InChI

InChI=1S/C21H20N2O4S/c1-12(24)16(20(26)27-21(2,3)4)17-13-8-5-6-9-14(13)18(22-17)23-19(25)15-10-7-11-28-15/h5-11H,1-4H3,(H,22,23,25)/b17-16-