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

Systemtic Name: methyl 4-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]amino]butanoate CAS Name: 4-[[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]amino]butanoate Traditional Name: 4-[[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]amino]butyric acid methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-10-9-25-16(18-10)26-13-6-5-11(8-12(13)19(22)23)15(21)17-7-3-4-14(20)24-2/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,21)