4-[(5-methyl-4-phenyl-3-propoxycarbonyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-methyl-4-phenyl-3-propoxycarbonyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-methyl-4-phenyl-3-propoxycarbonyl-2-thienyl)amino]-4-oxo-butanoic acid CAS Name: 4-[[5-methyl-3-[oxo(propoxy)methyl]-4-phenyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-methyl-4-phenyl-3-propoxycarbonylthiophen-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5-methyl-4-phenyl-3-propoxycarbonyl-2-thienyl)amino]butyric acid Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCC(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C19H21NO5S/c1-3-11-25-19(24)17-16(13-7-5-4-6-8-13)12(2)26-18(17)20-14(21)9-10-15(22)23/h4-8H,3,9-11H2,1-2H3,(H,20,21)(H,22,23)