(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H16ClNO5S/c22-16-8-14-10-26-12-28-19(14)15(9-16)11-27-21(25)13-3-5-17(6-4-13)23-20(24)18-2-1-7-29-18/h1-9H,10-12H2,(H,23,24)