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

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl(2-morpholin-4-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl(2-morpholinoethyl)carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl(2-morpholin-4-ylethyl)carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl(2-morpholinoethyl)carbamoyl]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O4S/c1-28-21(27)17-8-6-16(7-9-17)20(26)25(11-10-24-12-14-29-15-13-24)22-23-18-4-2-3-5-19(18)30-22/h2-9H,10-15H2,1H3