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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-15-22-18(13-27-15)14-28-19-10-8-16(9-11-19)21(25)26-12-20(24)23-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12,14H2,1H3,(H,23,24)