2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-sulfanyl-azetidin-1-yl]ethanoic acid; propane

Systemtic Name: 2-[2-oxidanylidene-3-(phenylmethoxycarbonylamino)-4-sulfanyl-azetidin-1-yl]ethanoic acid; propane Openeye Name: 2-[3-(benzyloxycarbonylamino)-2-oxo-4-sulfanyl-azetidin-1-yl]acetic acid; propane CAS Name: 2-[2-mercapto-4-oxo-3-(phenylmethoxycarbonylamino)-1-azetidinyl]acetic acid; propane IUPAC Name: 2-[2-oxo-3-(phenylmethoxycarbonylamino)-4-sulfanylazetidin-1-yl]acetic acid; propane Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-4-mercapto-azetidin-1-yl]acetic acid; n-propane Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCC.C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)CC(=O)O)S

Isomeric SMILES

CCC.C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)CC(=O)O)S

InChI

InChI=1S/C13H14N2O5S.C3H8/c16-9(17)6-15-11(18)10(12(15)21)14-13(19)20-7-8-4-2-1-3-5-8;1-3-2/h1-5,10,12,21H,6-7H2,(H,14,19)(H,16,17);3H2,1-2H3