thiophen-2-ylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: thiophen-2-ylmethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 2-thienylmethyl 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid 2-thenyl ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)OCC3=CC=CS3

InChI

InChI=1S/C16H13NO4S/c18-14(21-10-11-4-3-9-22-11)7-8-17-15(19)12-5-1-2-6-13(12)16(17)20/h1-6,9H,7-8,10H2