2-[[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(Z)-2-cyano-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(Z)-2-cyano-3-(4-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(Z)-2-cyano-3-(4-methoxyphenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(=CC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C(=C\C3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C21H21N3O3S/c1-12-3-8-16-17(9-12)28-21(18(16)19(23)25)24-20(26)14(11-22)10-13-4-6-15(27-2)7-5-13/h4-7,10,12H,3,8-9H2,1-2H3,(H2,23,25)(H,24,26)/b14-10-