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

Systemtic Name: naphthalen-1-ylmethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 1-naphthylmethyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 1-naphthylmethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21NO3S/c1-14(24)23-21-20(18-11-4-5-12-19(18)27-21)22(25)26-13-16-9-6-8-15-7-2-3-10-17(15)16/h2-3,6-10H,4-5,11-13H2,1H3,(H,23,24)