(4-nitrophenyl)methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4-(phenylmethyl)sulfinamoyl-azetidin-1-yl]but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)-4-(phenylmethyl)sulfinamoyl-azetidin-1-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-[2-benzylsulfinamoyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[2-oxo-3-[(1-oxo-2-phenylethyl)amino]-4-(phenylmethyl)sulfinamoyl-1-azetidinyl]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-benzylsulfinamoyl-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-benzylsulfinamoyl-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C30H30N4O7S MolecularWeight: 590.6468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C30H30N4O7S/c1-20(2)27(30(37)41-19-23-13-15-24(16-14-23)34(38)39)33-28(36)26(32-25(35)17-21-9-5-3-6-10-21)29(33)42(40)31-18-22-11-7-4-8-12-22/h3-16,26-27,29,31H,1,17-19H2,2H3,(H,32,35)