2-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-tetrahydrothiopyran-4-yl-propanoic acid CAS Name: 2-(phenylmethoxycarbonylamino)-3-(4-thianyl)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-(thian-4-yl)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-tetrahydrothiopyran-4-yl-propionic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CSCCC1CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO4S/c18-15(19)14(10-12-6-8-22-9-7-12)17-16(20)21-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,20)(H,18,19)