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

Systemtic Name: 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-(2-propoxyphenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

InChI

InChI=1S/C23H25N3O3S/c1-3-10-29-18-7-5-4-6-15(18)12-16(13-24)22(28)26-23-20(21(25)27)17-9-8-14(2)11-19(17)30-23/h4-7,12,14H,3,8-11H2,1-2H3,(H2,25,27)(H,26,28)/b16-12+