(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[methyl(thiophene-2-carbonyl)amino]benzoate CAS Name: 2-[methyl-[oxo(thiophen-2-yl)methyl]amino]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[methyl(thiophene-2-carbonyl)amino]benzoate Traditional Name: 2-[methyl(2-thenoyl)amino]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H16ClNO5S MolecularWeight: 429.87344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H16ClNO5S/c1-23(20(24)18-7-4-8-29-18)16-6-3-2-5-14(16)21(25)26-11-13-9-15(22)19-17(10-13)27-12-28-19/h2-10H,11-12H2,1H3