methyl 3-[2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[[2-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]propionic acid methyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S/c1-3-30-17-11-9-16(10-12-17)21-24-25-22(31)26(21)14-19(27)23-18(13-20(28)29-2)15-7-5-4-6-8-15/h4-12,18H,3,13-14H2,1-2H3,(H,23,27)(H,25,31)