hexanoyloxymethyl 7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: hexanoyloxymethyl 7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: hexanoyloxymethyl 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-oxohexoxymethyl ester IUPAC Name: hexanoyloxymethyl 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid caproyloxymethyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)N)C=C

Isomeric SMILES

CCCCCC(=O)OCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CSC(=N3)N)C=C

InChI

InChI=1S/C21H26N4O6S2/c1-3-5-6-7-15(27)30-11-31-20(29)17-12(4-2)9-32-19-16(18(28)25(17)19)24-14(26)8-13-10-33-21(22)23-13/h4,10,16,19H,2-3,5-9,11H2,1H3,(H2,22,23)(H,24,26)