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

Systemtic Name: 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(4-methoxyphenyl)acryloyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-32-21-14-11-20(12-15-21)13-16-24(30)29-27-25(22-9-5-6-10-23(22)33-27)26(31)28-18-17-19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10,17-18H2,1H3,(H,28,31)(H,29,30)