methyl 2-acetamido-3-[4-[7-(5-methylthiophen-2-yl)-7-oxidanylidene-heptoxy]phenyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[4-[7-(5-methylthiophen-2-yl)-7-oxidanylidene-heptoxy]phenyl]propanoate Openeye Name: methyl 2-acetamido-3-[4-[7-(5-methyl-2-thienyl)-7-oxo-heptoxy]phenyl]propanoate CAS Name: 2-acetamido-3-[4-[7-(5-methyl-2-thiophenyl)-7-oxoheptoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-[7-(5-methylthiophen-2-yl)-7-oxoheptoxy]phenyl]propanoate Traditional Name: 2-acetamido-3-[4-[7-keto-7-(5-methyl-2-thienyl)heptoxy]phenyl]propionic acid methyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCCCCCOC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCCCCCOC2=CC=C(C=C2)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C24H31NO5S/c1-17-9-14-23(31-17)22(27)8-6-4-5-7-15-30-20-12-10-19(11-13-20)16-21(24(28)29-3)25-18(2)26/h9-14,21H,4-8,15-16H2,1-3H3,(H,25,26)