tert-butyl 7-azanyl-3-[(4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl 7-azanyl-3-[(4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl 7-amino-3-[(4-methylthiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[(4-methyl-5-thiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-amino-3-[(4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[[(4-methylthiazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C16H21N3O3S3 MolecularWeight: 399.55124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(SC=N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21N3O3S3/c1-8-15(25-7-18-8)24-6-9-5-23-13-10(17)12(20)19(13)11(9)14(21)22-16(2,3)4/h7,10,13H,5-6,17H2,1-4H3