methyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCSCC(=O)N

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H18N2O4S2/c1-19-13(18)7-9(10-3-2-5-21-10)15-12(17)4-6-20-8-11(14)16/h2-3,5,9H,4,6-8H2,1H3,(H2,14,16)(H,15,17)