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

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-2-12-5-9-15-16(11-12)26-20(18(15)19(22)25)23-17(24)10-6-13-3-7-14(21)8-4-13/h3-4,6-8,10,12H,2,5,9,11H2,1H3,(H2,22,25)(H,23,24)/b10-6+