(5-phenyl-1,2-oxazol-3-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (5-phenylisoxazol-3-yl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C20H17NO3S/c1-13-7-8-15-10-19(25-18(15)9-13)20(22)23-12-16-11-17(24-21-16)14-5-3-2-4-6-14/h2-9,11,19H,10,12H2,1H3