2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(3,4-diethoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OCC

InChI

InChI=1S/C22H26N2O4S/c1-3-27-16-11-9-14(13-17(16)28-4-2)10-12-19(25)24-22-20(21(23)26)15-7-5-6-8-18(15)29-22/h9-13H,3-8H2,1-2H3,(H2,23,26)(H,24,25)