[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O4S/c1-15-2-4-19(5-3-15)20-6-7-32-22(20)23(29)31-14-21(28)26-24(30)27-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18H,8-14H2,1H3,(H2,26,27,28,30)