methyl 4-[(6-bromanyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-bromanyl-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-bromo-1,3-benzothiazol-2-yl)-(2-furylmethyl)carbamoyl]benzoate CAS Name: 4-[[(6-bromo-1,3-benzothiazol-2-yl)-(2-furanylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-bromo-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(6-bromo-1,3-benzothiazol-2-yl)-(2-furfuryl)carbamoyl]benzoic acid methyl ester Formula: C21H15BrN2O4S MolecularWeight: 471.3238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O4S/c1-27-20(26)14-6-4-13(5-7-14)19(25)24(12-16-3-2-10-28-16)21-23-17-9-8-15(22)11-18(17)29-21/h2-11H,12H2,1H3