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

Systemtic Name: methyl 2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

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