ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(oxidanylideneboranylmethylideneamino)propanoate

Systemtic Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(oxidanylideneboranylmethylideneamino)propanoate Openeye Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(oxoboranylmethyleneamino)propanoate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(oxoboranylmethylideneamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(oxoboranylmethylideneamino)propanoate Traditional Name: 3-(ketoboranylmethyleneamino)-2-[mesyl(piperonyl)amino]propionic acid ethyl ester Formula: C15H19BN2O7S MolecularWeight: 382.19656

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NCC(C(=O)OCC)N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

Isomeric SMILES

B(=O)C=NCC(C(=O)OCC)N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

InChI

InChI=1S/C15H19BN2O7S/c1-3-23-15(19)12(7-17-9-16-20)18(26(2,21)22)8-11-4-5-13-14(6-11)25-10-24-13/h4-6,9,12H,3,7-8,10H2,1-2H3