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

Systemtic Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(methoxycarbonylamino)propanoate Openeye Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(methoxycarbonylamino)propanoate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(methoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-3-(methoxycarbonylamino)propanoate Traditional Name: 3-(carbomethoxyamino)-2-[mesyl(piperonyl)amino]propionic acid ethyl ester Formula: C16H22N2O8S MolecularWeight: 402.41948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)OC)N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(CNC(=O)OC)N(CC1=CC2=C(C=C1)OCO2)S(=O)(=O)C

InChI

InChI=1S/C16H22N2O8S/c1-4-24-15(19)12(8-17-16(20)23-2)18(27(3,21)22)9-11-5-6-13-14(7-11)26-10-25-13/h5-7,12H,4,8-10H2,1-3H3,(H,17,20)