[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C27H25N3O6S2 MolecularWeight: 551.6339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H25N3O6S2/c1-18-2-11-23-24(16-18)37-26(29-23)19-3-7-21(8-4-19)28-25(31)17-36-27(32)20-5-9-22(10-6-20)38(33,34)30-12-14-35-15-13-30/h2-11,16H,12-15,17H2,1H3,(H,28,31)