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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid phthalimidomethyl ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H17NO4S/c1-11-6-7-15-12(8-11)9-16(25-15)19(23)24-10-20-17(21)13-4-2-3-5-14(13)18(20)22/h2-5,9,11H,6-8,10H2,1H3