2-(phenylmethoxycarbonylamino)butanethioic S-acid

Systemtic Name: 2-(phenylmethoxycarbonylamino)butanethioic S-acid Openeye Name: 2-(benzyloxycarbonylamino)butanethioic S-acid CAS Name: 2-(phenylmethoxycarbonylamino)butanethioic S-acid IUPAC Name: 2-(phenylmethoxycarbonylamino)butanethioic S-acid Traditional Name: 2-(benzyloxycarbonylamino)thiobutyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-2-10(11(14)17)13-12(15)16-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,15)(H,14,17)