6-[2-(3-methoxyphenyl)ethanoylamino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(3-methoxyphenyl)ethanoylamino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(3-methoxyphenyl)acetyl]amino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(3-methoxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-6-[(2-nitrophenyl)thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(3-methoxyphenyl)acetyl]amino]-3,3-dimethyl-6-(2-nitrophenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 7-keto-6-[[2-(3-methoxyphenyl)acetyl]amino]-3,3-dimethyl-6-[(2-nitrophenyl)thio]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C23H23N3O7S2 MolecularWeight: 517.57462

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)CC3=CC(=CC=C3)OC)SC4=CC=CC=C4[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)CC3=CC(=CC=C3)OC)SC4=CC=CC=C4[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C23H23N3O7S2/c1-22(2)18(19(28)29)25-20(30)23(21(25)35-22,34-16-10-5-4-9-15(16)26(31)32)24-17(27)12-13-7-6-8-14(11-13)33-3/h4-11,18,21H,12H2,1-3H3,(H,24,27)(H,28,29)