methyl (2S)-2-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[3-[(4-methylthiazol-2-yl)sulfanylmethyl]benzofuran-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[3-[[(4-methyl-2-thiazolyl)thio]methyl]-2-benzofuranyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[3-[[(4-methylthiazol-2-yl)thio]methyl]benzofuran-2-carbonyl]amino]propionic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)NC(C)C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)SCC2=C(OC3=CC=CC=C32)C(=O)N[C@@H](C)C(=O)OC

InChI

InChI=1S/C18H18N2O4S2/c1-10-8-25-18(19-10)26-9-13-12-6-4-5-7-14(12)24-15(13)16(21)20-11(2)17(22)23-3/h4-8,11H,9H2,1-3H3,(H,20,21)/t11-/m0/s1