methyl 2-acetamido-3-[4-[5-(5-methylthiophen-2-yl)-5-oxidanylidene-pentoxy]phenyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[4-[5-(5-methylthiophen-2-yl)-5-oxidanylidene-pentoxy]phenyl]propanoate Openeye Name: methyl 2-acetamido-3-[4-[5-(5-methyl-2-thienyl)-5-oxo-pentoxy]phenyl]propanoate CAS Name: 2-acetamido-3-[4-[5-(5-methyl-2-thiophenyl)-5-oxopentoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-[5-(5-methylthiophen-2-yl)-5-oxopentoxy]phenyl]propanoate Traditional Name: 2-acetamido-3-[4-[5-keto-5-(5-methyl-2-thienyl)pentoxy]phenyl]propionic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCCCOC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCCCOC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C22H27NO5S/c1-15-7-12-21(29-15)20(25)6-4-5-13-28-18-10-8-17(9-11-18)14-19(22(26)27-3)23-16(2)24/h7-12,19H,4-6,13-14H2,1-3H3,(H,23,24)