6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methyl-4-oxidanylidene-azetidin-2-yl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methyl-4-oxidanylidene-azetidin-2-yl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methyl-4-oxo-azetidin-2-yl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[[5-(1-methyl-4-oxo-2-azetidinyl)-1-[(4-nitrophenyl)methoxy-oxomethyl]-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-[5-(1-methyl-4-oxoazetidin-2-yl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-[[5-(4-keto-1-methyl-azetidin-2-yl)-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-3-yl]thio]-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C26H30N4O9S MolecularWeight: 574.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5CC(=O)N5C)C(=O)O)C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5CC(=O)N5C)C(=O)O)C(C)O

InChI

InChI=1S/C26H30N4O9S/c1-12-21-20(13(2)31)24(33)29(21)22(25(34)35)23(12)40-16-8-18(17-9-19(32)27(17)3)28(10-16)26(36)39-11-14-4-6-15(7-5-14)30(37)38/h4-7,12-13,16-18,20-21,31H,8-11H2,1-3H3,(H,34,35)