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

Systemtic Name: methyl 3-[[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonylamino]methyl]-5-(propanoylamino)benzoate Openeye Name: methyl 3-[[(2-methylsulfanylthiazole-4-carbonyl)amino]methyl]-5-(propanoylamino)benzoate CAS Name: 3-[[[[2-(methylthio)-4-thiazolyl]-oxomethyl]amino]methyl]-5-(1-oxopropylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-methylsulfanyl-1,3-thiazole-4-carbonyl)amino]methyl]-5-(propanoylamino)benzoate Traditional Name: 3-[[[2-(methylthio)thiazole-4-carbonyl]amino]methyl]-5-propionamido-benzoic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)SC)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1)CNC(=O)C2=CSC(=N2)SC)C(=O)OC

InChI

InChI=1S/C17H19N3O4S2/c1-4-14(21)19-12-6-10(5-11(7-12)16(23)24-2)8-18-15(22)13-9-26-17(20-13)25-3/h5-7,9H,4,8H2,1-3H3,(H,18,22)(H,19,21)