propan-2-yl 2-[2-(3-chloranylphenoxy)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(3-chloranylphenoxy)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[2-(3-chlorophenoxy)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-(3-chlorophenoxy)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[2-(3-chlorophenoxy)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C22H26ClNO4S MolecularWeight: 435.96414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClNO4S/c1-13(2)27-22(26)19-17-10-5-4-6-11-18(17)29-21(19)24-20(25)14(3)28-16-9-7-8-15(23)12-16/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,24,25)