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

Systemtic Name: methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-(4-nitrophenyl)sulfonylthiazol-2-yl]carbamoyl]benzoate CAS Name: 4-[[[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 4-[(5-nosylthiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C18H13N3O7S2 MolecularWeight: 447.44172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7S2/c1-28-17(23)12-4-2-11(3-5-12)16(22)20-18-19-10-15(29-18)30(26,27)14-8-6-13(7-9-14)21(24)25/h2-10H,1H3,(H,19,20,22)