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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (5-phenylisoxazol-3-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 (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-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 (5-phenylisoxazol-3-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4S/c1-13(24)22-20-19(16-9-5-6-10-18(16)28-20)21(25)26-12-15-11-17(27-23-15)14-7-3-2-4-8-14/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,22,24)