(phenylmethyl) 6-azanyl-3,3-dimethyl-6-[[2-[(4-nitrophenyl)methoxycarbonylamino]-2-thiophen-2-yl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-3,3-dimethyl-6-[[2-[(4-nitrophenyl)methoxycarbonylamino]-2-thiophen-2-yl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-amino-3,3-dimethyl-6-[[2-[(4-nitrophenyl)methoxycarbonylamino]-2-(2-thienyl)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-amino-3,3-dimethyl-6-[[2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-3,3-dimethyl-6-[[2-[(4-nitrophenyl)methoxycarbonylamino]-2-thiophen-2-ylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-amino-7-keto-3,3-dimethyl-6-[[2-[(4-nitrobenzyl)oxycarbonylamino]-2-(2-thienyl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C29H29N5O8S2 MolecularWeight: 639.69926

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(N)NC(=O)C(C3=CC=CS3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(N)NC(=O)C(C3=CC=CS3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCC5=CC=CC=C5)C

InChI

InChI=1S/C29H29N5O8S2/c1-28(2)22(24(36)41-15-17-7-4-3-5-8-17)33-25(37)29(30,26(33)44-28)32-23(35)21(20-9-6-14-43-20)31-27(38)42-16-18-10-12-19(13-11-18)34(39)40/h3-14,21-22,26H,15-16,30H2,1-2H3,(H,31,38)(H,32,35)