(4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-oxidanylidene-4-(3-oxidanylidene-3-propan-2-yloxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-oxidanylidene-4-(3-oxidanylidene-3-propan-2-yloxy-propyl)sulfanyl-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-(3-isopropoxy-3-oxo-propyl)sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 3-methyl-2-[2-oxo-3-(1-oxobutylamino)-4-[(3-oxo-3-propan-2-yloxypropyl)thio]-1-azetidinyl]-2-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[3-(butanoylamino)-2-oxo-4-(3-oxo-3-propan-2-yloxypropyl)sulfanylazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[3-butyramido-2-[(3-isopropoxy-3-keto-propyl)thio]-4-keto-azetidin-1-yl]-3-methyl-but-2-enoic acid (4-nitrobenzyl) ester Formula: C25H33N3O8S MolecularWeight: 535.60982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1C(N(C1=O)C(=C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCCC(=O)OC(C)C

Isomeric SMILES

CCCC(=O)NC1C(N(C1=O)C(=C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SCCC(=O)OC(C)C

InChI

InChI=1S/C25H33N3O8S/c1-6-7-19(29)26-21-23(31)27(24(21)37-13-12-20(30)36-16(4)5)22(15(2)3)25(32)35-14-17-8-10-18(11-9-17)28(33)34/h8-11,16,21,24H,6-7,12-14H2,1-5H3,(H,26,29)