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

Systemtic Name: methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoate CAS Name: 4-[[[4-(methylthio)-1,3-benzothiazol-2-yl]-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Traditional Name: 4-[[4-(methylthio)-1,3-benzothiazol-2-yl]-(2-morpholinoethyl)carbamoyl]benzoic acid methyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C23H25N3O4S2/c1-29-22(28)17-8-6-16(7-9-17)21(27)26(11-10-25-12-14-30-15-13-25)23-24-20-18(31-2)4-3-5-19(20)32-23/h3-9H,10-15H2,1-2H3