methyl 2-[[2-(1-azanylethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[[2-(1-azanylethyl)-1,3-thiazol-4-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[[2-(1-aminoethyl)thiazole-4-carbonyl]amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[[2-(1-aminoethyl)-4-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-(1-aminoethyl)thiazole-4-carbonyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

CC(C1=NC(=CS1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C17H21N3O3S2/c1-11(18)16-20-13(10-25-16)15(21)19-14(17(22)23-2)9-24-8-12-6-4-3-5-7-12/h3-7,10-11,14H,8-9,18H2,1-2H3,(H,19,21)