2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-morpholin-4-yl-3-nitro-phenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-morpholin-4-yl-3-nitro-phenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-morpholino-3-nitro-phenyl)-3-oxo-propanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-[4-(4-morpholinyl)-3-nitrophenyl]-3-oxopropanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-(4-morpholin-4-yl-3-nitrophenyl)-3-oxopropanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-3-(4-morpholino-3-nitro-phenyl)propionitrile Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4S3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)C(=C3NC4=CC=CC=C4S3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c21-12-14(20-22-15-3-1-2-4-18(15)29-20)19(25)13-5-6-16(17(11-13)24(26)27)23-7-9-28-10-8-23/h1-6,11,22H,7-10H2