6-[2-(3-carboxyphenyl)ethanoylamino]-3-ethenyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(3-carboxyphenyl)ethanoylamino]-3-ethenyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-methyl-7-oxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(3-carboxyphenyl)-1-oxoethyl]amino]-3-ethenyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(3-carboxyphenyl)acetyl]amino]-3-ethenyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-(3-carboxyphenyl)acetyl]amino]-7-keto-3-methyl-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)C=C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC(=C3)C(=O)O)C(=O)O)C=C

InChI

InChI=1S/C18H18N2O6S/c1-3-18(2)13(17(25)26)20-14(22)12(15(20)27-18)19-11(21)8-9-5-4-6-10(7-9)16(23)24/h3-7,12-13,15H,1,8H2,2H3,(H,19,21)(H,23,24)(H,25,26)