2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5-methylsulfanyl-3H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 2-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-5-methylsulfanyl-3H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 2-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-5-methylsulfanyl-3H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-5-(methylthio)-3H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-5-methylsulfanyl-3H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 2-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-5-(methylthio)-3H-1,3,4-thiadiazole-2-carboxylic acid Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)C2(NN=C(S2)SC)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)C2(NN=C(S2)SC)C(=O)O

InChI

InChI=1S/C19H25N3O5S2/c1-4-27-16(24)14(11-10-13-8-6-5-7-9-13)20-12(2)15(23)19(17(25)26)22-21-18(28-3)29-19/h5-9,12,14,20,22H,4,10-11H2,1-3H3,(H,25,26)