ethyl 4-(1-adamantylsulfanylmethyl)-2-azanyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1-adamantylsulfanylmethyl)-2-azanyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-(1-adamantylsulfanylmethyl)-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 4-[(1-adamantylthio)methyl]-2-amino-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-adamantylsulfanylmethyl)-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-[(1-adamantylthio)methyl]-2-amino-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC23CC4CC(C2)CC(C4)C3)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC23CC4CC(C2)CC(C4)C3)C(=O)NC)N

InChI

InChI=1S/C20H28N2O3S2/c1-3-25-19(24)15-14(16(18(23)22-2)27-17(15)21)10-26-20-7-11-4-12(8-20)6-13(5-11)9-20/h11-13H,3-10,21H2,1-2H3,(H,22,23)