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

Systemtic Name: 6-methyl-2-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[(E)-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[[(E)-3-(4-propoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

InChI

InChI=1S/C22H26N2O3S/c1-3-12-27-16-8-5-15(6-9-16)7-11-19(25)24-22-20(21(23)26)17-10-4-14(2)13-18(17)28-22/h5-9,11,14H,3-4,10,12-13H2,1-2H3,(H2,23,26)(H,24,25)/b11-7+