methyl (1R)-3-[(3-isothiocyanatophenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R)-3-[(3-isothiocyanatophenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R)-3-[(3-isothiocyanatophenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R)-3-[(3-isothiocyanatoanilino)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R)-3-[(3-isothiocyanatophenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R)-3-[(3-isothiocyanatophenyl)carbamoyloxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)NC3=CC=CC(=C3)N=C=S)C(=O)OC

Isomeric SMILES

CN1[C@@H]2CCC1C(C(C2)OC(=O)NC3=CC=CC(=C3)N=C=S)C(=O)OC

InChI

InChI=1S/C18H21N3O4S/c1-21-13-6-7-14(21)16(17(22)24-2)15(9-13)25-18(23)20-12-5-3-4-11(8-12)19-10-26/h3-5,8,13-16H,6-7,9H2,1-2H3,(H,20,23)/t13-,14?,15?,16?/m1/s1