N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-N-(1,1-dioxo-3-thiolanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(2-chlorophenyl)acryloyl]amino]-N-(1,1-diketothiolan-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H23ClN2O4S2 MolecularWeight: 479.01202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C=CC3=CC=CC=C3Cl)C(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C=C/C3=CC=CC=C3Cl)C(=O)NC4CCS(=O)(=O)C4

InChI

InChI=1S/C22H23ClN2O4S2/c23-17-7-3-1-5-14(17)9-10-19(26)25-22-20(16-6-2-4-8-18(16)30-22)21(27)24-15-11-12-31(28,29)13-15/h1,3,5,7,9-10,15H,2,4,6,8,11-13H2,(H,24,27)(H,25,26)/b10-9+