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

Systemtic Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoate CAS Name: 4-[[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-pyridinylmethyl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(pyridin-2-ylmethyl)carbamoyl]benzoate Traditional Name: 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-pyridylmethyl)carbamoyl]benzoic acid methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H21N3O5S/c1-30-18-11-12-19(31-2)21-20(18)26-24(33-21)27(14-17-6-4-5-13-25-17)22(28)15-7-9-16(10-8-15)23(29)32-3/h4-13H,14H2,1-3H3