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

Systemtic Name: 2-[[(E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-(5-phenyl-2-furyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-(5-phenyl-2-furyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4)C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4)/C#N)C(=O)N

InChI

InChI=1S/C23H19N3O3S/c24-13-15(12-16-10-11-18(29-16)14-6-2-1-3-7-14)22(28)26-23-20(21(25)27)17-8-4-5-9-19(17)30-23/h1-3,6-7,10-12H,4-5,8-9H2,(H2,25,27)(H,26,28)/b15-12+