S-[3-(2-benzamidoethyl)-4-prop-2-enyl-1-benzothiophen-5-yl] 2-cyclobutylethanethioate

Systemtic Name: S-[3-(2-benzamidoethyl)-4-prop-2-enyl-1-benzothiophen-5-yl] 2-cyclobutylethanethioate Openeye Name: S-[4-allyl-3-(2-benzamidoethyl)benzothiophen-5-yl] 2-cyclobutylethanethioate CAS Name: 2-cyclobutylethanethioic acid S-[3-(2-benzamidoethyl)-4-prop-2-enyl-1-benzothiophen-5-yl] ester IUPAC Name: S-[3-(2-benzamidoethyl)-4-prop-2-enyl-1-benzothiophen-5-yl] 2-cyclobutylethanethioate Traditional Name: 2-cyclobutylethanethioic acid S-[4-allyl-3-(2-benzamidoethyl)benzothiophen-5-yl] ester Formula: C26H27NO2S2 MolecularWeight: 449.62808

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC2=C1C(=CS2)CCNC(=O)C3=CC=CC=C3)SC(=O)CC4CCC4

Isomeric SMILES

C=CCC1=C(C=CC2=C1C(=CS2)CCNC(=O)C3=CC=CC=C3)SC(=O)CC4CCC4

InChI

InChI=1S/C26H27NO2S2/c1-2-7-21-22(31-24(28)16-18-8-6-9-18)12-13-23-25(21)20(17-30-23)14-15-27-26(29)19-10-4-3-5-11-19/h2-5,10-13,17-18H,1,6-9,14-16H2,(H,27,29)