methyl (3S)-2,2-dimethyl-1,4-thiazepane-3-carboxylate

Systemtic Name: methyl (3S)-2,2-dimethyl-1,4-thiazepane-3-carboxylate Openeye Name: methyl (3S)-2,2-dimethyl-1,4-thiazepane-3-carboxylate CAS Name: (3S)-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2,2-dimethyl-1,4-thiazepane-3-carboxylate Traditional Name: (3S)-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid methyl ester Formula: C9H17NO2S MolecularWeight: 203.30178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NCCCS1)C(=O)OC)C

Isomeric SMILES

CC1([C@@H](NCCCS1)C(=O)OC)C

InChI

InChI=1S/C9H17NO2S/c1-9(2)7(8(11)12-3)10-5-4-6-13-9/h7,10H,4-6H2,1-3H3/t7-/m0/s1