2-[[(Z)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(Z)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(Z)-2-cyano-3-(2-methyl-2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(Z)-2-cyano-3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]-N-(2-oxolanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(Z)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(Z)-2-cyano-3-(2-methylcoumaran-5-yl)acryloyl]amino]-N-(tetrahydrofurfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5CCCO5

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)/C=C(/C#N)\C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5CCCO5

InChI

InChI=1S/C27H29N3O4S/c1-16-11-18-12-17(8-9-22(18)34-16)13-19(14-28)25(31)30-27-24(21-6-2-3-7-23(21)35-27)26(32)29-15-20-5-4-10-33-20/h8-9,12-13,16,20H,2-7,10-11,15H2,1H3,(H,29,32)(H,30,31)/b19-13-