(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C20H19NO3S/c1-13-17(21-19(24-13)14-7-3-2-4-8-14)11-23-20(22)16-12-25-18-10-6-5-9-15(16)18/h2-4,7-8,12H,5-6,9-11H2,1H3