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

Systemtic Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H29N3O6S/c1-31-19-9-10-20(32-2)22-21(19)26-25(35-22)28(12-4-11-27-13-15-34-16-14-27)23(29)17-5-7-18(8-6-17)24(30)33-3/h5-10H,4,11-16H2,1-3H3