(4-methoxyphenyl)methyl 3-methyl-7-oxidanylidene-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-methyl-7-oxidanylidene-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 3-methyl-7-oxo-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-methyl-7-oxo-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-methyl-7-oxo-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-methyl-3-(thiocyanatomethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid p-anisyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)OC)CSC#N

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)OC)CSC#N

InChI

InChI=1S/C17H18N2O4S2/c1-17(9-24-10-18)15(19-13(20)7-14(19)25-17)16(21)23-8-11-3-5-12(22-2)6-4-11/h3-6,14-15H,7-9H2,1-2H3