N-(1,3-benzothiazol-2-yl)-2-cyano-3-(8-methoxy-4-oxidanylidene-chromen-3-yl)prop-2-enamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-cyano-3-(8-methoxy-4-oxidanylidene-chromen-3-yl)prop-2-enamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-cyano-3-(8-methoxy-4-oxo-chromen-3-yl)prop-2-enamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-cyano-3-(8-methoxy-4-oxo-1-benzopyran-3-yl)-2-propenamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-cyano-3-(8-methoxy-4-oxochromen-3-yl)prop-2-enamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-keto-8-methoxy-chromen-3-yl)acrylamide Formula: C21H13N3O4S MolecularWeight: 403.41062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC=C(C2=O)C=C(C#N)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=CC2=C1OC=C(C2=O)C=C(C#N)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H13N3O4S/c1-27-16-7-4-5-14-18(25)13(11-28-19(14)16)9-12(10-22)20(26)24-21-23-15-6-2-3-8-17(15)29-21/h2-9,11H,1H3,(H,23,24,26)