(3R,5S)-7-methoxycarbonyl-5-methyl-2,3,4,5-tetrahydrothiepine-3-carboxylic acid

Systemtic Name: (3R,5S)-7-methoxycarbonyl-5-methyl-2,3,4,5-tetrahydrothiepine-3-carboxylic acid Openeye Name: (3R,5S)-7-methoxycarbonyl-5-methyl-2,3,4,5-tetrahydrothiepine-3-carboxylic acid CAS Name: (3R,5S)-7-methoxycarbonyl-5-methyl-2,3,4,5-tetrahydrothiepin-3-carboxylic acid IUPAC Name: (3R,5S)-7-methoxycarbonyl-5-methyl-2,3,4,5-tetrahydrothiepine-3-carboxylic acid Traditional Name: (3R,5S)-7-carbomethoxy-5-methyl-2,3,4,5-tetrahydrothiepin-3-carboxylic acid Formula: C10H14O4S MolecularWeight: 230.28076

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CSC(=C1)C(=O)OC)C(=O)O

Isomeric SMILES

C[C@H]1C[C@@H](CSC(=C1)C(=O)OC)C(=O)O

InChI

InChI=1S/C10H14O4S/c1-6-3-7(9(11)12)5-15-8(4-6)10(13)14-2/h4,6-7H,3,5H2,1-2H3,(H,11,12)/t6-,7-/m0/s1