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

Systemtic Name: ethyl 2-[2-(2-methyl-1,3-thiazol-4-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]propanoate CAS Name: 2-[[2-(2-methyl-4-thiazolyl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-(2-methylthiazol-4-yl)acetyl]amino]propionic acid ethyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)CC2=CSC(=N2)C

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)CC2=CSC(=N2)C

InChI

InChI=1S/C18H22N2O3S2/c1-3-23-18(22)16(12-24-10-14-7-5-4-6-8-14)20-17(21)9-15-11-25-13(2)19-15/h4-8,11,16H,3,9-10,12H2,1-2H3,(H,20,21)