ethyl 4-[5-[[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]carbamoyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[[4-(1,3-benzothiazol-3-ium-2-yl)-3-oxidanyl-phenyl]carbamoyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]carbamoyl]-2-furyl]benzoate CAS Name: 4-[5-[[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyanilino]-oxomethyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxyphenyl]carbamoyl]furan-2-yl]benzoate Traditional Name: 4-[5-[[4-(1,3-benzothiazol-3-ium-2-yl)-3-hydroxy-phenyl]carbamoyl]-2-furyl]benzoic acid ethyl ester Formula: C27H21N2O5S+ MolecularWeight: 485.53104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC(=C(C=C3)C4=[NH+]C5=CC=CC=C5S4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC(=C(C=C3)C4=[NH+]C5=CC=CC=C5S4)O

InChI

InChI=1S/C27H20N2O5S/c1-2-33-27(32)17-9-7-16(8-10-17)22-13-14-23(34-22)25(31)28-18-11-12-19(21(30)15-18)26-29-20-5-3-4-6-24(20)35-26/h3-15,30H,2H2,1H3,(H,28,31)/p+1