ethyl 2-[[5-azanyl-2-(phenylmethoxycarbonylamino)-5-sulfanylidene-pentanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[5-azanyl-2-(phenylmethoxycarbonylamino)-5-sulfanylidene-pentanoyl]amino]ethanoate Openeye Name: ethyl 2-[[5-amino-2-(benzyloxycarbonylamino)-5-thioxo-pentanoyl]amino]acetate CAS Name: 2-[[5-amino-1-oxo-2-(phenylmethoxycarbonylamino)-5-sulfanylidenepentyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-2-(phenylmethoxycarbonylamino)-5-sulfanylidenepentanoyl]amino]acetate Traditional Name: 2-[[5-amino-2-(benzyloxycarbonylamino)-5-thioxo-pentanoyl]amino]acetic acid ethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCC(=S)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CNC(=O)C(CCC(=S)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23N3O5S/c1-2-24-15(21)10-19-16(22)13(8-9-14(18)26)20-17(23)25-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H2,18,26)(H,19,22)(H,20,23)