methyl 3-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-(2-thienyl)-3-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]propanoate CAS Name: 3-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]propionic acid methyl ester Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H18N4O3S3/c1-24-15(23)10-11(12-4-2-8-26-12)18-14(22)6-7-21-16(19-20-17(21)25)13-5-3-9-27-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,18,22)(H,20,25)