[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)N

InChI

InChI=1S/C22H28N2O4S/c23-19(26)18-15-3-1-2-4-16(15)29-20(18)24-17(25)11-28-21(27)22-8-12-5-13(9-22)7-14(6-12)10-22/h12-14H,1-11H2,(H2,23,26)(H,24,25)