methyl 5-oxidanylidene-5-[4-phenyl-5-(phenylmethyl)imino-1,3,4-thiadiazol-2-yl]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[4-phenyl-5-(phenylmethyl)imino-1,3,4-thiadiazol-2-yl]pentanoate Openeye Name: methyl 5-(5-benzylimino-4-phenyl-1,3,4-thiadiazol-2-yl)-5-oxo-pentanoate CAS Name: 5-oxo-5-[4-phenyl-5-(phenylmethyl)imino-1,3,4-thiadiazol-2-yl]pentanoic acid methyl ester IUPAC Name: methyl 5-(5-benzylimino-4-phenyl-1,3,4-thiadiazol-2-yl)-5-oxopentanoate Traditional Name: 5-(5-benzylimino-4-phenyl-1,3,4-thiadiazol-2-yl)-5-keto-valeric acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)C1=NN(C(=NCC2=CC=CC=C2)S1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC(=O)C1=NN(C(=NCC2=CC=CC=C2)S1)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-27-19(26)14-8-13-18(25)20-23-24(17-11-6-3-7-12-17)21(28-20)22-15-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3