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

Systemtic Name: methyl 4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[(4-ethoxy-1,3-benzothiazol-2-yl)-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H29N3O5S/c1-3-33-20-6-4-7-21-22(20)26-25(34-21)28(13-5-12-27-14-16-32-17-15-27)23(29)18-8-10-19(11-9-18)24(30)31-2/h4,6-11H,3,5,12-17H2,1-2H3