methyl (2S)-2-[[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)-5-thiadiazolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SN=N2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SN=N2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-26-15-10-8-14(9-11-15)17-18(28-23-22-17)19(24)21-16(20(25)27-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H,21,24)/t16-/m0/s1