1-methyl-4-[(E)-3-thiophen-2-ylprop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 1-methyl-4-[(E)-3-thiophen-2-ylprop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 1-methyl-4-[(E)-3-(2-thienyl)prop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-methyl-4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 1-methyl-4-[(E)-3-thiophen-2-ylprop-2-enoyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 1-methyl-4-[(E)-3-(2-thienyl)acryloyl]-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=O)N1)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=C2CCCCC2=C(C(=O)N1)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H17NO2S/c1-11-13-6-2-3-7-14(13)16(17(20)18-11)15(19)9-8-12-5-4-10-21-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,20)/b9-8+