[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H14ClNO5S/c1-9(15(19)18-7-11-3-2-4-24-11)23-16(20)10-5-12(17)14-13(6-10)21-8-22-14/h2-6,9H,7-8H2,1H3,(H,18,19)