methyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: methyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate Openeye Name: methyl 2-(3,3-dimethyl-2-oxo-butyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate CAS Name: 2-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-2-oxobutyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,3,4-thiadiazole-2-carboxylic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1(NN=C(S1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)CC1(NN=C(S1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-15(2,3)12(19)10-16(14(20)21-4)18-17-13(22-16)11-8-6-5-7-9-11/h5-9,18H,10H2,1-4H3