O1-ethyl O4-(phenylmethyl) 2-[(2R,3S)-3-ethyl-4-oxidanylidene-azetidin-2-yl]sulfanyl-3-oxidanylidene-butanedioate

Systemtic Name: O1-ethyl O4-(phenylmethyl) 2-[(2R,3S)-3-ethyl-4-oxidanylidene-azetidin-2-yl]sulfanyl-3-oxidanylidene-butanedioate Openeye Name: O1-benzyl O4-ethyl 3-[(2R,3S)-3-ethyl-4-oxo-azetidin-2-yl]sulfanyl-2-oxo-butanedioate CAS Name: 2-[[(2R,3S)-3-ethyl-4-oxo-2-azetidinyl]thio]-3-oxobutanedioic acid O1-ethyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-ethyl 2-[(2R,3S)-3-ethyl-4-oxoazetidin-2-yl]sulfanyl-3-oxobutanedioate Traditional Name: 3-[[(2R,3S)-3-ethyl-4-keto-azetidin-2-yl]thio]-2-keto-succinic acid O1-benzyl ester O4-ethyl ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC1=O)SC(C(=O)C(=O)OCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC[C@@H]1[C@H](NC1=O)SC(C(=O)C(=O)OCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H21NO6S/c1-3-12-15(21)19-16(12)26-14(18(23)24-4-2)13(20)17(22)25-10-11-8-6-5-7-9-11/h5-9,12,14,16H,3-4,10H2,1-2H3,(H,19,21)/t12-,14?,16+/m0/s1