(1S,3S)-3-(1,3-benzothiazol-2-yl)-1,2,2-trimethyl-cyclopentane-1-carboxylate

Systemtic Name: (1S,3S)-3-(1,3-benzothiazol-2-yl)-1,2,2-trimethyl-cyclopentane-1-carboxylate Openeye Name: (1S,3S)-3-(1,3-benzothiazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylate CAS Name: (1S,3S)-3-(1,3-benzothiazol-2-yl)-1,2,2-trimethyl-1-cyclopentanecarboxylate IUPAC Name: (1S,3S)-3-(1,3-benzothiazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylate Traditional Name: (1S,3S)-3-(1,3-benzothiazol-2-yl)-1,2,2-trimethyl-cyclopentanecarboxylate Formula: C16H18NO2S- MolecularWeight: 288.38462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)[O-])C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

C[C@@]1(CC[C@@H](C1(C)C)C2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

InChI=1S/C16H19NO2S/c1-15(2)10(8-9-16(15,3)14(18)19)13-17-11-6-4-5-7-12(11)20-13/h4-7,10H,8-9H2,1-3H3,(H,18,19)/p-1/t10-,16-/m1/s1