7-[2-(4-hydroxyphenyl)ethanoylamino]-8-oxidanylidene-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-(4-hydroxyphenyl)ethanoylamino]-8-oxidanylidene-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-allyl-7-[[2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(4-hydroxyphenyl)-1-oxoethyl]amino]-8-oxo-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-allyl-7-[[2-(4-hydroxyphenyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)O)SC1)C(=O)O

Isomeric SMILES

C=CCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)O)SC1)C(=O)O

InChI

InChI=1S/C18H18N2O5S/c1-2-3-11-9-26-17-14(16(23)20(17)15(11)18(24)25)19-13(22)8-10-4-6-12(21)7-5-10/h2,4-7,14,17,21H,1,3,8-9H2,(H,19,22)(H,24,25)