methyl 2-[2-(3,5-dimethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,5-dimethylphenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C20H23NO4S/c1-12-8-13(2)10-14(9-12)25-11-17(22)21-19-18(20(23)24-3)15-6-4-5-7-16(15)26-19/h8-10H,4-7,11H2,1-3H3,(H,21,22)