methyl 3-[[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(4-methylsulfanylphenyl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-[4-(methylthio)phenyl]-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[4-(methylthio)phenyl]thiazol-2-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S2/c1-27-18(24)13-7-12(8-14(9-13)22(25)26)17(23)21-19-20-16(10-29-19)11-3-5-15(28-2)6-4-11/h3-10H,1-2H3,(H,20,21,23)