ethyl 2-[2-(3-oxidanylnaphthalen-2-yl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-oxidanylnaphthalen-2-yl)carbonyloxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-hydroxynaphthalene-2-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-2-naphthalenyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-hydroxynaphthalene-2-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-hydroxy-2-naphthoyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)OC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C25H25NO6S/c1-3-31-25(30)21-17-10-6-7-11-20(17)33-23(21)26-22(28)14(2)32-24(29)18-12-15-8-4-5-9-16(15)13-19(18)27/h4-5,8-9,12-14,27H,3,6-7,10-11H2,1-2H3,(H,26,28)