ethyl 4-azanyl-3-[2-[[3-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-1-oxidanylidene-1,2-thiazole-5-carboxylate

Systemtic Name: ethyl 4-azanyl-3-[2-[[3-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-1-oxidanylidene-1,2-thiazole-5-carboxylate Openeye Name: ethyl 4-amino-3-[2-[[3-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethylamino]-1-oxo-isothiazole-5-carboxylate CAS Name: 4-amino-3-[2-[[3-(dimethylaminomethyl)-2-furanyl]methylthio]ethylamino]-1-oxo-5-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-3-[2-[[3-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-1-oxo-1,2-thiazole-5-carboxylate Traditional Name: 4-amino-3-[2-[[3-(dimethylaminomethyl)-2-furyl]methylthio]ethylamino]-1-keto-isothiazole-5-carboxylic acid ethyl ester Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NS1=O)NCCSCC2=C(C=CO2)CN(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(C(=NS1=O)NCCSCC2=C(C=CO2)CN(C)C)N

InChI

InChI=1S/C16H24N4O4S2/c1-4-23-16(21)14-13(17)15(19-26(14)22)18-6-8-25-10-12-11(5-7-24-12)9-20(2)3/h5,7H,4,6,8-10,17H2,1-3H3,(H,18,19)