ethyl 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylcarbamoylamino]benzoate

Systemtic Name: ethyl 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylcarbamoylamino]benzoate Openeye Name: ethyl 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylcarbamoylamino]benzoate CAS Name: 2-[[[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylcarbamoylamino]benzoate Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethylcarbamoylamino]benzoic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)NCCSCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)NCCSCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C20H27N3O4S/c1-4-26-19(24)17-7-5-6-8-18(17)22-20(25)21-11-12-28-14-16-10-9-15(27-16)13-23(2)3/h5-10H,4,11-14H2,1-3H3,(H2,21,22,25)