3-(aminocarbonyloxymethyl)-7-[2-(2-azanyl-4-oxidanyl-phenyl)ethanoylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[2-(2-azanyl-4-oxidanyl-phenyl)ethanoylamino]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-(2-amino-4-hydroxy-phenyl)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-(2-amino-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-(2-amino-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-(2-amino-4-hydroxy-phenyl)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)CC3=C(C=C(C=C3)O)N

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=C(C=C(C=C3)O)N

InChI

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