ethyl 2-[[(R)-1-adamantylsulfinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(R)-1-adamantylsulfinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(R)-1-adamantylsulfinyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(R)-1-adamantylsulfinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(R)-1-adamantylsulfinyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(R)-1-adamantylsulfinyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H29NO3S2 MolecularWeight: 407.58986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N[S@](=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29NO3S2/c1-2-25-20(23)18-16-5-3-4-6-17(16)26-19(18)22-27(24)21-10-13-7-14(11-21)9-15(8-13)12-21/h13-15,22H,2-12H2,1H3/t13?,14?,15?,21?,27-/m1/s1