methyl 2-(1-adamantylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S/c1-12-3-4-16-17(5-12)27-19(18(16)20(24)26-2)23-21(25)22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15H,3-11H2,1-2H3,(H,23,25)