[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)NC(C)CCCC(C)C

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)NC(C)CCCC(C)C

InChI

InChI=1S/C22H30N2O3S2/c1-15(2)6-5-7-16(3)23-21(25)12-27-22(26)18-8-10-20(11-9-18)29-14-19-13-28-17(4)24-19/h8-11,13,15-16H,5-7,12,14H2,1-4H3,(H,23,25)