2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-3-(1-methyl-3-indolyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-(1-methylindol-3-yl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C22H20N4O2S/c1-26-12-14(15-6-2-4-8-17(15)26)10-13(11-23)21(28)25-22-19(20(24)27)16-7-3-5-9-18(16)29-22/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,24,27)(H,25,28)/b13-10+