methyl 3-[2-(1-adamantylsulfanyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(1-adamantylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1-adamantylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(1-adamantylthio)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1-adamantylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(1-adamantylthio)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H23NO3S2 MolecularWeight: 365.51012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H23NO3S2/c1-22-17(21)16-14(2-3-23-16)19-15(20)10-24-18-7-11-4-12(8-18)6-13(5-11)9-18/h2-3,11-13H,4-10H2,1H3,(H,19,20)