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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: 3-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: 3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: 3-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: 3-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br)OCC#C

InChI

InChI=1S/C23H18BrN3O3S/c1-3-8-30-21-18(24)10-14(11-19(21)29-2)9-15(12-25)22(28)27-23-17(13-26)16-6-4-5-7-20(16)31-23/h1,9-11H,4-8H2,2H3,(H,27,28)