(4-methoxyphenyl)methyl (6S)-7-azanyl-3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (6S)-7-azanyl-3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (6S)-7-amino-3-[[5-(2-ethoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-amino-3-[[[5-(2-ethoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (6S)-7-amino-3-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-amino-3-[[[5-(2-ethoxy-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester Formula: C24H27N3O6S3 MolecularWeight: 549.68268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OCC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SCC2=C(N3[C@H](C(C3=O)N)SC2)C(=O)OCC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H27N3O6S3/c1-4-32-18(28)9-17-13(2)26-24(36-17)35-12-15-11-34-22-19(25)21(29)27(22)20(15)23(30)33-10-14-5-7-16(31-3)8-6-14/h5-8,19,22H,4,9-12,25H2,1-3H3/t19?,22-/m0/s1