2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H17N3O4S/c1-26-16-7-12(8-17-19(16)28-11-27-17)6-13(9-22)20(25)24-21-15(10-23)14-4-2-3-5-18(14)29-21/h6-8H,2-5,11H2,1H3,(H,24,25)