ethyl 2-[2-(2-naphthalen-2-ylsulfanylethanoyloxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-naphthalen-2-ylsulfanylethanoyloxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[2-(2-naphthylsulfanyl)acetyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-(2-naphthalenylthio)-1-oxoethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-naphthalen-2-ylsulfanylacetyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[2-(2-naphthylthio)acetyl]oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27NO5S2 MolecularWeight: 497.62628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H27NO5S2/c1-3-31-26(30)23-20-10-6-7-11-21(20)34-25(23)27-24(29)16(2)32-22(28)15-33-19-13-12-17-8-4-5-9-18(17)14-19/h4-5,8-9,12-14,16H,3,6-7,10-11,15H2,1-2H3,(H,27,29)