2-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-morpholinosulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]-3-oxopropanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)-3-oxopropanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-(4-morpholinosulfonylphenyl)propionitrile Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O4S2/c21-13-16(20-22-17-3-1-2-4-18(17)28-20)19(24)14-5-7-15(8-6-14)29(25,26)23-9-11-27-12-10-23/h1-8,16H,9-12H2