methyl 4-[azanyl(1,3-benzothiazol-2-yl)carbamoyl]-5-morpholin-4-yl-3-oxidanylidene-hex-4-enoate

Systemtic Name: methyl 4-[azanyl(1,3-benzothiazol-2-yl)carbamoyl]-5-morpholin-4-yl-3-oxidanylidene-hex-4-enoate Openeye Name: methyl 4-[amino(1,3-benzothiazol-2-yl)carbamoyl]-5-morpholino-3-oxo-hex-4-enoate CAS Name: 4-[[amino(1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-(4-morpholinyl)-3-oxo-4-hexenoic acid methyl ester IUPAC Name: methyl 4-[amino(1,3-benzothiazol-2-yl)carbamoyl]-5-morpholin-4-yl-3-oxohex-4-enoate Traditional Name: 4-[amino(1,3-benzothiazol-2-yl)carbamoyl]-3-keto-5-morpholino-hex-4-enoic acid methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)CC(=O)OC)C(=O)N(C1=NC2=CC=CC=C2S1)N)N3CCOCC3

Isomeric SMILES

CC(=C(C(=O)CC(=O)OC)C(=O)N(C1=NC2=CC=CC=C2S1)N)N3CCOCC3

InChI

InChI=1S/C19H22N4O5S/c1-12(22-7-9-28-10-8-22)17(14(24)11-16(25)27-2)18(26)23(20)19-21-13-5-3-4-6-15(13)29-19/h3-6H,7-11,20H2,1-2H3