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

Systemtic Name: ethyl 3-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-2-29-20(26)15-8-14(9-16(10-15)24(27)28)19(25)23-21-22-17(11-31-21)12-3-4-18-13(7-12)5-6-30-18/h3-4,7-11H,2,5-6H2,1H3,(H,22,23,25)