methyl 7-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]amino]heptanoate CAS Name: 7-[[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]amino]heptanoate Traditional Name: 7-[[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]amino]enanthic acid methyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S2/c1-13-12-28-19(21-13)29-16-9-8-14(11-15(16)22(25)26)18(24)20-10-6-4-3-5-7-17(23)27-2/h8-9,11-12H,3-7,10H2,1-2H3,(H,20,24)