2-[2-chloranyl-3-methyl-5-[(4-propoxyphenyl)carbonylamino]-4-thiophen-2-yl-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 2-[2-chloranyl-3-methyl-5-[(4-propoxyphenyl)carbonylamino]-4-thiophen-2-yl-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[2-chloro-3-methyl-5-[(4-propoxybenzoyl)amino]-4-(2-thienyl)phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[2-chloro-3-methyl-5-[[oxo-(4-propoxyphenyl)methyl]amino]-4-thiophen-2-ylphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[2-chloro-3-methyl-5-[(4-propoxybenzoyl)amino]-4-thiophen-2-ylphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-[2-chloro-3-methyl-5-[(4-propoxybenzoyl)amino]-4-(2-thienyl)phenyl]-2-isopropoxy-propionic acid Formula: C27H30ClNO5S MolecularWeight: 516.0488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(C(=C2)C(C)(C(=O)O)OC(C)C)Cl)C)C3=CC=CS3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C(=C(C(=C2)C(C)(C(=O)O)OC(C)C)Cl)C)C3=CC=CS3

InChI

InChI=1S/C27H30ClNO5S/c1-6-13-33-19-11-9-18(10-12-19)25(30)29-21-15-20(27(5,26(31)32)34-16(2)3)24(28)17(4)23(21)22-8-7-14-35-22/h7-12,14-16H,6,13H2,1-5H3,(H,29,30)(H,31,32)