ethyl 2-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[5-(4-chlorophenyl)-2-furoyl]thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H16ClN3O4S2 MolecularWeight: 485.96314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O4S2/c1-2-29-20(28)13-5-8-15-18(11-13)32-22(24-15)26-21(31)25-19(27)17-10-9-16(30-17)12-3-6-14(23)7-4-12/h3-11H,2H2,1H3,(H2,24,25,26,27,31)