4-azanyl-N5-(furan-2-ylmethyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(furan-2-ylmethyl)-N5-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-furylmethyl)-N5-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-furanylmethyl)-N5-[2-oxo-2-(2-oxolanylmethylamino)-1-thiophen-2-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(furan-2-ylmethyl)-5-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-thiophen-2-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-furfuryl)-N'-[2-keto-2-(tetrahydrofurfurylamino)-1-(2-thienyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(CC3=CC=CO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CC(OC1)CNC(=O)C(C2=CC=CS2)N(CC3=CC=CO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C21H23N5O5S2/c22-15-16(19(23)27)25-33-18(15)21(29)26(11-13-5-2-8-31-13)17(14-6-3-9-32-14)20(28)24-10-12-4-1-7-30-12/h2-3,5-6,8-9,12,17H,1,4,7,10-11,22H2,(H2,23,27)(H,24,28)