(4-methoxyphenyl)methyl 7-azanyl-8-oxidanylidene-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Systemtic Name: (4-methoxyphenyl)methyl 7-azanyl-8-oxidanylidene-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Openeye Name: (4-methoxyphenyl)methyl 7-amino-8-oxo-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride CAS Name: 7-amino-8-oxo-3-(prop-2-ynylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester hydrochloride IUPAC Name: (4-methoxyphenyl)methyl 7-amino-8-oxo-3-prop-2-ynylsulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride Traditional Name: 7-amino-8-keto-3-(propargylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester hydrochloride Formula: C18H19ClN2O4S2 MolecularWeight: 426.93746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)SCC#C.Cl

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3N)SCC#C.Cl

InChI

InChI=1S/C18H18N2O4S2.ClH/c1-3-8-25-13-10-26-17-14(19)16(21)20(17)15(13)18(22)24-9-11-4-6-12(23-2)7-5-11;/h1,4-7,14,17H,8-10,19H2,2H3;1H