ethyl 2-[2-(4-ethylsulfanylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-ethylsulfanylphenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-[4-(ethylthio)phenyl]-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylsulfanylphenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(ethylthio)phenyl]acetyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)SCC

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)SCC

InChI

InChI=1S/C21H21NO3S2/c1-3-25-21(24)19-16-7-5-6-8-17(16)27-20(19)22-18(23)13-14-9-11-15(12-10-14)26-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,23)