7-[2-(3-hydroxyphenyl)ethanoylamino]-3-methyl-8-oxidanylidene-7-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-(3-hydroxyphenyl)ethanoylamino]-3-methyl-8-oxidanylidene-7-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(3-hydroxyphenyl)acetyl]amino]-7-isopropoxy-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-(3-hydroxyphenyl)-1-oxoethyl]amino]-3-methyl-8-oxo-7-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-(3-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-7-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(3-hydroxyphenyl)acetyl]amino]-7-isopropoxy-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(NC(=O)CC3=CC(=CC=C3)O)OC(C)C)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(NC(=O)CC3=CC(=CC=C3)O)OC(C)C)SC1)C(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-10(2)27-19(20-14(23)8-12-5-4-6-13(22)7-12)17(26)21-15(16(24)25)11(3)9-28-18(19)21/h4-7,10,18,22H,8-9H2,1-3H3,(H,20,23)(H,24,25)