1-ethoxycarbonyloxyethyl 7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 1-ethoxycarbonyloxyethyl 7-[(4-bromanyl-3-oxidanylidene-butanoyl)amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 7-[(4-bromo-3-oxo-butanoyl)amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(4-bromo-1,3-dioxobutyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 7-[(4-bromo-3-oxobutanoyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(4-bromo-3-keto-butanoyl)amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-carbethoxyoxyethyl ester Formula: C18H21BrN2O8S MolecularWeight: 505.33694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC(=O)CBr)C=C

Isomeric SMILES

CCOC(=O)OC(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC(=O)CBr)C=C

InChI

InChI=1S/C18H21BrN2O8S/c1-4-10-8-30-16-13(20-12(23)6-11(22)7-19)15(24)21(16)14(10)17(25)28-9(3)29-18(26)27-5-2/h4,9,13,16H,1,5-8H2,2-3H3,(H,20,23)