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

Systemtic Name: 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-phenyl-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-1-oxo-3-phenylprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-phenylprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-phenyl-acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(=CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C(=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C20H19N3O2S/c1-12-7-8-15-16(9-12)26-20(17(15)18(22)24)23-19(25)14(11-21)10-13-5-3-2-4-6-13/h2-6,10,12H,7-9H2,1H3,(H2,22,24)(H,23,25)/b14-10+