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

Systemtic Name: 2-[[(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(Z)-2-cyano-3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(Z)-2-cyano-3-(1H-indol-3-yl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CNC4=CC=CC=C43)C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C\C3=CNC4=CC=CC=C43)/C#N)C(=O)N

InChI

InChI=1S/C21H18N4O2S/c22-10-12(9-13-11-24-16-7-3-1-5-14(13)16)20(27)25-21-18(19(23)26)15-6-2-4-8-17(15)28-21/h1,3,5,7,9,11,24H,2,4,6,8H2,(H2,23,26)(H,25,27)/b12-9-