1,3-benzoxazol-2-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H15NO3S/c19-17(12-10-22-15-8-4-1-5-11(12)15)20-9-16-18-13-6-2-3-7-14(13)21-16/h2-3,6-7,10H,1,4-5,8-9H2