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methyl 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylcarbamothioylamino]butanoate

methyl 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylcarbamothioylamino]butanoate

Systemtic Name:methyl 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylcarbamothioylamino]butanoate
Openeye Name:methyl 4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylcarbamothioylamino]butanoate
CAS Name:4-[[[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester
IUPAC Name:methyl 4-[2-(4,5-dimethoxy-2-nitrophenyl)ethylcarbamothioylamino]butanoate
Traditional Name:4-[2-(4,5-dimethoxy-2-nitro-phenyl)ethylthiocarbamoylamino]butyric acid methyl ester
Formula: C16H23N3O6S
MolecularWeight: 385.43532
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NCCCC(=O)OC)[N+](=O)[O-])OC


Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NCCCC(=O)OC)[N+](=O)[O-])OC


InChI

InChI=1S/C16H23N3O6S/c1-23-13-9-11(12(19(21)22)10-14(13)24-2)6-8-18-16(26)17-7-4-5-15(20)25-3/h9-10H,4-8H2,1-3H3,(H2,17,18,26)


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