[2-(4-hydroxyphenyl)ethanoylamino] 3-but-3-enyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [2-(4-hydroxyphenyl)ethanoylamino] 3-but-3-enyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [[2-(4-hydroxyphenyl)acetyl]amino] 3-but-3-enyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-but-3-enyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[2-(4-hydroxyphenyl)-1-oxoethyl]amino] ester IUPAC Name: [[2-(4-hydroxyphenyl)acetyl]amino] 3-but-3-enyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-but-3-enyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[2-(4-hydroxyphenyl)acetyl]amino] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=C(N2C(CC2=O)SC1)C(=O)ONC(=O)CC3=CC=C(C=C3)O

Isomeric SMILES

C=CCCC1=C(N2C(CC2=O)SC1)C(=O)ONC(=O)CC3=CC=C(C=C3)O

InChI

InChI=1S/C19H20N2O5S/c1-2-3-4-13-11-27-17-10-16(24)21(17)18(13)19(25)26-20-15(23)9-12-5-7-14(22)8-6-12/h2,5-8,17,22H,1,3-4,9-11H2,(H,20,23)