methyl 5-[2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[[2-(4-tert-butylthiazol-2-yl)sulfanylacetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-[(4-tert-butyl-2-thiazolyl)thio]-1-oxoethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-[(4-tert-butylthiazol-2-yl)thio]acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C17H19ClN2O3S2 MolecularWeight: 398.92736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H19ClN2O3S2/c1-17(2,3)13-8-24-16(20-13)25-9-14(21)19-10-5-6-12(18)11(7-10)15(22)23-4/h5-8H,9H2,1-4H3,(H,19,21)