2-(phenylmethoxycarbonylamino)-2-(thian-4-yl)ethanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-2-(thian-4-yl)ethanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-2-tetrahydrothiopyran-4-yl-acetic acid CAS Name: 2-(phenylmethoxycarbonylamino)-2-(4-thianyl)acetic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-2-(thian-4-yl)acetic acid Traditional Name: 2-(benzyloxycarbonylamino)-2-tetrahydrothiopyran-4-yl-acetic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1C(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CSCCC1C(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO4S/c17-14(18)13(12-6-8-21-9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,19)(H,17,18)