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

Systemtic Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoate CAS Name: 4-[[(4-methyl-1,3-benzothiazol-2-yl)-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-16-4-3-5-19-20(16)24-23(31-19)26(11-10-25-12-14-30-15-13-25)21(27)17-6-8-18(9-7-17)22(28)29-2/h3-9H,10-15H2,1-2H3