[5-(methylsulfonylamino)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-nitro-phenyl]methyl ethanoate

Systemtic Name: [5-(methylsulfonylamino)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-nitro-phenyl]methyl ethanoate Openeye Name: [5-(methanesulfonamido)-4-(4-methylthiazol-2-yl)sulfanyl-2-nitro-phenyl]methyl acetate CAS Name: acetic acid [5-(methanesulfonamido)-4-[(4-methyl-2-thiazolyl)thio]-2-nitrophenyl]methyl ester IUPAC Name: [5-(methanesulfonamido)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-nitrophenyl]methyl acetate Traditional Name: acetic acid [5-(methanesulfonamido)-4-[(4-methylthiazol-2-yl)thio]-2-nitro-benzyl] ester Formula: C14H15N3O6S3 MolecularWeight: 417.4804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C(=C2)[N+](=O)[O-])COC(=O)C)NS(=O)(=O)C

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C(=C2)[N+](=O)[O-])COC(=O)C)NS(=O)(=O)C

InChI

InChI=1S/C14H15N3O6S3/c1-8-7-24-14(15-8)25-13-5-12(17(19)20)10(6-23-9(2)18)4-11(13)16-26(3,21)22/h4-5,7,16H,6H2,1-3H3