2-[[4-[[2-(4-ethoxy-4-oxidanylidene-butyl)sulfanyl-4-propyl-1,3-thiazol-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[4-[[2-(4-ethoxy-4-oxidanylidene-butyl)sulfanyl-4-propyl-1,3-thiazol-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[4-[[2-(4-ethoxy-4-oxo-butyl)sulfanyl-4-propyl-thiazol-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[4-[[2-[(4-ethoxy-4-oxobutyl)thio]-4-propyl-5-thiazolyl]methyl]anilino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[4-[[2-(4-ethoxy-4-oxobutyl)sulfanyl-4-propyl-1,3-thiazol-5-yl]methyl]phenyl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[4-[[2-[(4-ethoxy-4-keto-butyl)thio]-4-propyl-thiazol-5-yl]methyl]phenyl]carbamoyl]besylic acid Formula: C26H30N2O6S3 MolecularWeight: 562.7212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=N1)SCCCC(=O)OCC)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCC1=C(SC(=N1)SCCCC(=O)OCC)CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C26H30N2O6S3/c1-3-8-21-22(36-26(28-21)35-16-7-11-24(29)34-4-2)17-18-12-14-19(15-13-18)27-25(30)20-9-5-6-10-23(20)37(31,32)33/h5-6,9-10,12-15H,3-4,7-8,11,16-17H2,1-2H3,(H,27,30)(H,31,32,33)