[1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid phthalimidomethyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N2O5S/c1-11(23)21-17-16(14-8-4-5-9-15(14)28-17)20(26)27-10-22-18(24)12-6-2-3-7-13(12)19(22)25/h2-3,6-7H,4-5,8-10H2,1H3,(H,21,23)