methyl 5-[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[[4-(1-adamantyl)thiazol-2-yl]carbamoyl]thiophene-2-carboxylate CAS Name: 5-[[[4-(1-adamantyl)-2-thiazolyl]amino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate Traditional Name: 5-[[4-(1-adamantyl)thiazol-2-yl]carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(S1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H22N2O3S2/c1-25-18(24)15-3-2-14(27-15)17(23)22-19-21-16(10-26-19)20-7-11-4-12(8-20)6-13(5-11)9-20/h2-3,10-13H,4-9H2,1H3,(H,21,22,23)