ethyl 2-[2-(3-chloranylphenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-chloranylphenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-chlorophenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-chlorophenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-chlorophenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C(C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClNO4S/c1-4-14-9-10-17-18(11-14)29-21(19(17)22(26)27-5-2)24-20(25)13(3)28-16-8-6-7-15(23)12-16/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,24,25)