3-[(2-chloranyl-4-propoxy-phenyl)carbonylamino]-2-[4-(4-methylthiophen-2-yl)phenyl]-2-propan-2-yloxy-butanoic acid

Systemtic Name: 3-[(2-chloranyl-4-propoxy-phenyl)carbonylamino]-2-[4-(4-methylthiophen-2-yl)phenyl]-2-propan-2-yloxy-butanoic acid Openeye Name: 3-[(2-chloro-4-propoxy-benzoyl)amino]-2-isopropoxy-2-[4-(4-methyl-2-thienyl)phenyl]butanoic acid CAS Name: 3-[[(2-chloro-4-propoxyphenyl)-oxomethyl]amino]-2-[4-(4-methyl-2-thiophenyl)phenyl]-2-propan-2-yloxybutanoic acid IUPAC Name: 3-[(2-chloro-4-propoxybenzoyl)amino]-2-[4-(4-methylthiophen-2-yl)phenyl]-2-propan-2-yloxybutanoic acid Traditional Name: 3-[(2-chloro-4-propoxy-benzoyl)amino]-2-isopropoxy-2-[4-(4-methyl-2-thienyl)phenyl]butyric acid Formula: C28H32ClNO5S MolecularWeight: 530.07538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO5S/c1-6-13-34-22-11-12-23(24(29)15-22)26(31)30-19(5)28(27(32)33,35-17(2)3)21-9-7-20(8-10-21)25-14-18(4)16-36-25/h7-12,14-17,19H,6,13H2,1-5H3,(H,30,31)(H,32,33)