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

Systemtic Name: methyl 3-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(2,3-dihydrobenzofuran-5-yl)thiazol-2-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(2,3-dihydrobenzofuran-5-yl)-2-thiazolyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-coumaran-5-ylthiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c1-28-19(25)14-7-13(8-15(9-14)23(26)27)18(24)22-20-21-16(10-30-20)11-2-3-17-12(6-11)4-5-29-17/h2-3,6-10H,4-5H2,1H3,(H,21,22,24)