methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-furylmethyl)carbamoyl]benzoate CAS Name: 4-[[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-furanylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-furfuryl)carbamoyl]benzoic acid methyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H20N2O6S/c1-28-17-10-11-18(29-2)20-19(17)24-23(32-20)25(13-16-5-4-12-31-16)21(26)14-6-8-15(9-7-14)22(27)30-3/h4-12H,13H2,1-3H3