methyl 3-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-[[2-keto-1-methyl-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C17H21N3O5S2/c1-10-7-14(20-25-10)19-17(23)11(2)27-9-15(21)18-12(8-16(22)24-3)13-5-4-6-26-13/h4-7,11-12H,8-9H2,1-3H3,(H,18,21)(H,19,20,23)