ethyl 6-tert-butyl-2-[2-(4-ethoxyphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[2-(4-ethoxyphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(4-ethoxyphenyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2-p-phenetylacetyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)C=C(C=C3)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)C=C(C=C3)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C25H29NO4S/c1-6-29-18-11-8-16(9-12-18)14-21(27)26-23-22(24(28)30-7-2)19-13-10-17(25(3,4)5)15-20(19)31-23/h8-13,15H,6-7,14H2,1-5H3,(H,26,27)