methyl 4-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-methyl-2-methylsulfanyl-thiazol-5-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-methyl-2-(methylthio)-5-thiazolyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-methyl-2-(methylthio)thiazol-5-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)SC)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O3S2/c1-10-13(23-16(18-10)22-3)8-14(19)17-9-11-4-6-12(7-5-11)15(20)21-2/h4-7H,8-9H2,1-3H3,(H,17,19)