3-(aminocarbonyloxymethyl)-7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-(carbamoyloxymethyl)-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H20N4O8S MolecularWeight: 452.4384

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)C(C3=CC=C(C=C3)O)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)C(C3=CC=C(C=C3)O)N

InChI

InChI=1S/C18H20N4O8S/c1-29-18(21-13(24)11(19)8-2-4-10(23)5-3-8)15(27)22-12(14(25)26)9(6-30-17(20)28)7-31-16(18)22/h2-5,11,16,23H,6-7,19H2,1H3,(H2,20,28)(H,21,24)(H,25,26)