2-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenylethanethioylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-phenylethanethioylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2-ethoxycarbonyloxyethyl 3-(acetoxymethyl)-8-oxo-7-[(2-phenylethanethioyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[(2-phenyl-1-sulfanylideneethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-ethoxycarbonyloxyethyl ester IUPAC Name: 2-ethoxycarbonyloxyethyl 3-(acetyloxymethyl)-8-oxo-7-[(2-phenylethanethioyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[(2-phenylthioacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-carbethoxyoxyethyl ester Formula: C23H26N2O8S2 MolecularWeight: 522.59114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCCOC(=O)C1=C(CSC2N1C(=O)C2NC(=S)CC3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CCOC(=O)OCCOC(=O)C1=C(CSC2N1C(=O)C2NC(=S)CC3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C23H26N2O8S2/c1-3-30-23(29)32-10-9-31-22(28)19-16(12-33-14(2)26)13-35-21-18(20(27)25(19)21)24-17(34)11-15-7-5-4-6-8-15/h4-8,18,21H,3,9-13H2,1-2H3,(H,24,34)