methyl 2-[5-[2-(1-azanyl-3-methylsulfanyl-1-oxidanylidene-propan-2-yl)hydrazinyl]-1,3-benzodioxol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[2-(1-azanyl-3-methylsulfanyl-1-oxidanylidene-propan-2-yl)hydrazinyl]-1,3-benzodioxol-2-yl]ethanoate Openeye Name: methyl 2-[5-[2-[2-amino-1-(methylsulfanylmethyl)-2-oxo-ethyl]hydrazino]-1,3-benzodioxol-2-yl]acetate CAS Name: 2-[5-[[1-amino-3-(methylthio)-1-oxopropan-2-yl]hydrazo]-1,3-benzodioxol-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[2-(1-amino-3-methylsulfanyl-1-oxopropan-2-yl)hydrazinyl]-1,3-benzodioxol-2-yl]acetate Traditional Name: 2-[5-[N'-[2-amino-2-keto-1-[(methylthio)methyl]ethyl]hydrazino]-1,3-benzodioxol-2-yl]acetic acid methyl ester Formula: C14H19N3O5S MolecularWeight: 341.38276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1OC2=C(O1)C=C(C=C2)NNC(CSC)C(=O)N

Isomeric SMILES

COC(=O)CC1OC2=C(O1)C=C(C=C2)NNC(CSC)C(=O)N

InChI

InChI=1S/C14H19N3O5S/c1-20-12(18)6-13-21-10-4-3-8(5-11(10)22-13)16-17-9(7-23-2)14(15)19/h3-5,9,13,16-17H,6-7H2,1-2H3,(H2,15,19)