2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(2-naphthalen-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C21H18NO3S- MolecularWeight: 364.43752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=CC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC3=CC=CC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C21H19NO3S/c23-18(12-14-8-5-7-13-6-1-2-9-15(13)14)22-20-19(21(24)25)16-10-3-4-11-17(16)26-20/h1-2,5-9H,3-4,10-12H2,(H,22,23)(H,24,25)/p-1