methyl 4-[(E)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(2-morpholino-1,3-benzothiazol-6-yl)amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]amino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(2-morpholino-1,3-benzothiazol-6-yl)amino]prop-1-enyl]benzoic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C22H21N3O4S/c1-28-21(27)16-5-2-15(3-6-16)4-9-20(26)23-17-7-8-18-19(14-17)30-22(24-18)25-10-12-29-13-11-25/h2-9,14H,10-13H2,1H3,(H,23,26)/b9-4+