methyl 2-[(2-formamido-2-adamantyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-formamido-2-adamantyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-formamidoadamantane-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-formamido-2-adamantyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-formamidoadamantane-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-formamidoadamantane-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(C4CC5CC(C4)CC3C5)NC=O

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(C4CC5CC(C4)CC3C5)NC=O

InChI

InChI=1S/C22H28N2O4S/c1-28-20(26)18-16-4-2-3-5-17(16)29-19(18)24-21(27)22(23-11-25)14-7-12-6-13(9-14)10-15(22)8-12/h11-15H,2-10H2,1H3,(H,23,25)(H,24,27)