methyl 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]thiazole-5-carboxylate CAS Name: 2-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C15H15N3O6S2 MolecularWeight: 397.4261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=NC=C(S2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=NC=C(S2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S2/c1-23-11-4-3-9(5-10(11)18(21)22)7-25-8-13(19)17-15-16-6-12(26-15)14(20)24-2/h3-6H,7-8H2,1-2H3,(H,16,17,19)