prop-2-enyl 3-chloranyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: prop-2-enyl 3-chloranyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: allyl 3-chloro-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-chloro-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-chloro-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-chloro-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid allyl ester Formula: C16H15ClN2O4S2 MolecularWeight: 398.8843

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)Cl

Isomeric SMILES

C=CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CS3)Cl

InChI

InChI=1S/C16H15ClN2O4S2/c1-2-5-23-16(22)13-10(17)8-25-15-12(14(21)19(13)15)18-11(20)7-9-4-3-6-24-9/h2-4,6,12,15H,1,5,7-8H2,(H,18,20)