4-methyl-N-(phenoxymethyl)-1,3-thiazole-2-sulfonamide; 2,3,4-trimethyl-5-prop-2-enyl-benzoic acid

Systemtic Name: 4-methyl-N-(phenoxymethyl)-1,3-thiazole-2-sulfonamide; 2,3,4-trimethyl-5-prop-2-enyl-benzoic acid Openeye Name: 5-allyl-2,3,4-trimethyl-benzoic acid; 4-methyl-N-(phenoxymethyl)thiazole-2-sulfonamide CAS Name: 4-methyl-N-(phenoxymethyl)-2-thiazolesulfonamide; 2,3,4-trimethyl-5-prop-2-enylbenzoic acid IUPAC Name: 4-methyl-N-(phenoxymethyl)-1,3-thiazole-2-sulfonamide; 2,3,4-trimethyl-5-prop-2-enylbenzoic acid Traditional Name: 5-allyl-2,3,4-trimethyl-benzoic acid; 4-methyl-N-(phenoxymethyl)thiazole-2-sulfonamide Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)S(=O)(=O)NCOC2=CC=CC=C2.CC1=C(C(=CC(=C1C)CC=C)C(=O)O)C

Isomeric SMILES

CC1=CSC(=N1)S(=O)(=O)NCOC2=CC=CC=C2.CC1=C(C(=CC(=C1C)CC=C)C(=O)O)C

InChI

InChI=1S/C13H16O2.C11H12N2O3S2/c1-5-6-11-7-12(13(14)15)10(4)8(2)9(11)3;1-9-7-17-11(13-9)18(14,15)12-8-16-10-5-3-2-4-6-10/h5,7H,1,6H2,2-4H3,(H,14,15);2-7,12H,8H2,1H3