methyl 4-[2-[2-(phenylmethylsulfanyl)ethanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[2-(phenylmethylsulfanyl)ethanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(2-benzylsulfanylacetyl)amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[2-(benzylthio)acetyl]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-25-19(24)16-9-7-15(8-10-16)17-12-27-20(21-17)22-18(23)13-26-11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,21,22,23)