[7-(4-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-ethoxybenzoate

Systemtic Name: [7-(4-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3-ethoxybenzoate Openeye Name: [2-oxo-7-(p-tolyl)-1,3-benzoxathiol-5-yl] 3-ethoxybenzoate CAS Name: 3-ethoxybenzoic acid [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-ethoxybenzoate Traditional Name: 3-ethoxybenzoic acid [2-keto-7-(p-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C23H18O5S MolecularWeight: 406.45102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)C)OC(=O)S3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)C)OC(=O)S3

InChI

InChI=1S/C23H18O5S/c1-3-26-17-6-4-5-16(11-17)22(24)27-18-12-19(15-9-7-14(2)8-10-15)21-20(13-18)29-23(25)28-21/h4-13H,3H2,1-2H3