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

Systemtic Name: (6R)-2-[2-(3-ethylphenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[2-(3-ethylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: (6R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C20H22NO4S- MolecularWeight: 372.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)[O-]

InChI

InChI=1S/C20H23NO4S/c1-3-13-5-4-6-14(10-13)25-11-17(22)21-19-18(20(23)24)15-8-7-12(2)9-16(15)26-19/h4-6,10,12H,3,7-9,11H2,1-2H3,(H,21,22)(H,23,24)/p-1/t12-/m1/s1