5-(2-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-3H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-(2-azanylpropanoyl)-2-(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)-3H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-(2-aminopropanoyl)-2-(1-ethoxycarbonyl-3-phenyl-propyl)-3H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-(2-amino-1-oxopropyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-3H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-(2-aminopropanoyl)-2-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)-3H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-alanyl-2-(1-carbethoxy-3-phenyl-propyl)-3H-1,3,4-thiadiazole-2-carboxylic acid Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-3-26-16(23)13(10-9-12-7-5-4-6-8-12)18(17(24)25)21-20-15(27-18)14(22)11(2)19/h4-8,11,13,21H,3,9-10,19H2,1-2H3,(H,24,25)