4-[(4-chlorophenyl)methoxy]-3-[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-3-[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid Openeye Name: 4-[(4-chlorophenyl)methoxy]-3-[4-(2-quinolylmethoxy)phenyl]butanethioic S-acid CAS Name: 4-[(4-chlorophenyl)methoxy]-3-[4-(2-quinolinylmethoxy)phenyl]butanethioic S-acid IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-[4-(quinolin-2-ylmethoxy)phenyl]butanethioic S-acid Traditional Name: 4-(4-chlorobenzyl)oxy-3-[4-(2-quinolylmethoxy)phenyl]thiobutyric acid Formula: C27H24ClNO3S MolecularWeight: 478.00236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(CC(=O)S)COCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)C(CC(=O)S)COCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H24ClNO3S/c28-23-10-5-19(6-11-23)16-31-17-22(15-27(30)33)20-8-13-25(14-9-20)32-18-24-12-7-21-3-1-2-4-26(21)29-24/h1-14,22H,15-18H2,(H,30,33)