(3R)-2-[(E)-3-(1-benzothiophen-3-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[(E)-3-(1-benzothiophen-3-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[(E)-3-(benzothiophen-3-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[(E)-3-(1-benzothiophen-3-yl)-1-oxoprop-2-enyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[(E)-3-(1-benzothiophen-3-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[(E)-3-(benzothiophen-3-yl)acryloyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C=CC3=CSC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)/C=C/C3=CSC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C21H18N2O2S/c22-21(25)18-11-14-5-1-2-6-15(14)12-23(18)20(24)10-9-16-13-26-19-8-4-3-7-17(16)19/h1-10,13,18H,11-12H2,(H2,22,25)/b10-9+/t18-/m1/s1