4-[5-[3-(4-chloranylphenoxy)prop-1-ynyl]thiophen-2-yl]butyl 2-acetamidopropanoate

Systemtic Name: 4-[5-[3-(4-chloranylphenoxy)prop-1-ynyl]thiophen-2-yl]butyl 2-acetamidopropanoate Openeye Name: 4-[5-[3-(4-chlorophenoxy)prop-1-ynyl]-2-thienyl]butyl 2-acetamidopropanoate CAS Name: 2-acetamidopropanoic acid 4-[5-[3-(4-chlorophenoxy)prop-1-ynyl]-2-thiophenyl]butyl ester IUPAC Name: 4-[5-[3-(4-chlorophenoxy)prop-1-ynyl]thiophen-2-yl]butyl 2-acetamidopropanoate Traditional Name: 2-acetamidopropionic acid 4-[5-[3-(4-chlorophenoxy)prop-1-ynyl]-2-thienyl]butyl ester Formula: C22H24ClNO4S MolecularWeight: 433.94826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CC(C(=O)OCCCCC1=CC=C(S1)C#CCOC2=CC=C(C=C2)Cl)NC(=O)C

InChI

InChI=1S/C22H24ClNO4S/c1-16(24-17(2)25)22(26)28-14-4-3-6-20-12-13-21(29-20)7-5-15-27-19-10-8-18(23)9-11-19/h8-13,16H,3-4,6,14-15H2,1-2H3,(H,24,25)