(4-methoxyphenyl)methyl 3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl 4-isopropoxy-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-4-propan-2-yloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-isopropoxy-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1OC(C)C)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1OC(C)C)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O6S/c1-16(2)35-27-17(3)23(26(32)34-15-19-10-12-20(33-4)13-11-19)29-24(31)22(25(29)36-27)28-21(30)14-18-8-6-5-7-9-18/h5-13,16,22,25,27H,14-15H2,1-4H3,(H,28,30)