ethyl 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-(1-adamantyl)-3-(3-mercapto-1-oxopropyl)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-(1-adamantyl)-3-(3-mercaptopropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(N=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)CCS

Isomeric SMILES

CCOC(=O)C1N(N=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)CCS

InChI

InChI=1S/C18H26N2O3S2/c1-2-23-16(22)15-20(14(21)3-4-24)19-17(25-15)18-8-11-5-12(9-18)7-13(6-11)10-18/h11-13,15,24H,2-10H2,1H3