methyl 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate CAS Name: 3-[[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23N3O3S/c1-27-18(26)16-4-2-3-15(8-16)17(25)22-20-24-23-19(28-20)21-9-12-5-13(10-21)7-14(6-12)11-21/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,22,24,25)