N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-oxolanylmethyl)-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=CC=C3)C(=O)NCC4CCCO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=CC=C3)C(=O)NCC4CCCO4

InChI

InChI=1S/C23H26N2O3S/c26-20(13-12-16-7-2-1-3-8-16)25-23-21(18-10-4-5-11-19(18)29-23)22(27)24-15-17-9-6-14-28-17/h1-3,7-8,12-13,17H,4-6,9-11,14-15H2,(H,24,27)(H,25,26)/b13-12+