3-(4-but-2-ynoxyphenyl)-5,5-dimethyl-2-sulfonyl-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)-5,5-dimethyl-2-sulfonyl-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)-5,5-dimethyl-2-sulfonyl-thiazolidine-4-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)-5,5-dimethyl-2-sulfonyl-4-thiazolidinecarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)-5,5-dimethyl-2-sulfonyl-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)-5,5-dimethyl-2-sulfonyl-thiazolidine-4-carboxylic acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)N2C(C(SC2=S(=O)=O)(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)N2C(C(SC2=S(=O)=O)(C)C)C(=O)O

InChI

InChI=1S/C16H17NO5S2/c1-4-5-10-22-12-8-6-11(7-9-12)17-13(14(18)19)16(2,3)23-15(17)24(20)21/h6-9,13H,10H2,1-3H3,(H,18,19)