2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl]sulfanyl-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl]thio]-N-(4-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C25H18N4O5S3 MolecularWeight: 550.62922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)C(=C4NC5=CC=CC=C5S4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)C(=C4NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C25H18N4O5S3/c1-33-16-8-6-15(7-9-16)29-37(31,32)17-10-11-22-20(12-17)28-25(34-22)35-14-21(30)18(13-26)24-27-19-4-2-3-5-23(19)36-24/h2-12,27,29H,14H2,1H3