2-[2-oxidanylidene-1-phenethyl-8-(4-propan-2-ylphenoxy)-4-thia-1-azaspiro[4.5]decan-3-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-1-phenethyl-8-(4-propan-2-ylphenoxy)-4-thia-1-azaspiro[4.5]decan-3-yl]ethanoic acid Openeye Name: 2-[8-(4-isopropylphenoxy)-2-oxo-1-phenethyl-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid CAS Name: 2-[2-oxo-1-phenethyl-8-(4-propan-2-ylphenoxy)-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid IUPAC Name: 2-[2-oxo-1-phenethyl-8-(4-propan-2-ylphenoxy)-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid Traditional Name: 2-[8-(4-isopropylphenoxy)-2-keto-1-phenethyl-4-thia-1-azaspiro[4.5]decan-3-yl]acetic acid Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2CCC3(CC2)N(C(=O)C(S3)CC(=O)O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2CCC3(CC2)N(C(=O)C(S3)CC(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H33NO4S/c1-19(2)21-8-10-22(11-9-21)32-23-12-15-27(16-13-23)28(17-14-20-6-4-3-5-7-20)26(31)24(33-27)18-25(29)30/h3-11,19,23-24H,12-18H2,1-2H3,(H,29,30)