4-(phenylmethoxycarbonylamino)pentanethioic S-acid

Systemtic Name: 4-(phenylmethoxycarbonylamino)pentanethioic S-acid Openeye Name: 4-(benzyloxycarbonylamino)pentanethioic S-acid CAS Name: 4-(phenylmethoxycarbonylamino)pentanethioic S-acid IUPAC Name: 4-(phenylmethoxycarbonylamino)pentanethioic S-acid Traditional Name: 4-(benzyloxycarbonylamino)thiovaleric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)S)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(CCC(=O)S)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-10(7-8-12(15)18)14-13(16)17-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,16)(H,15,18)