N-(1,3-benzothiazol-2-yl)-2-[4-[(E)-4-oxidanylidene-4-piperidin-1-yl-but-2-enoyl]-3-prop-2-enoxy-phenoxy]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(E)-4-oxidanylidene-4-piperidin-1-yl-but-2-enoyl]-3-prop-2-enoxy-phenoxy]ethanamide Openeye Name: 2-[3-allyloxy-4-[(E)-4-oxo-4-(1-piperidyl)but-2-enoyl]phenoxy]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(E)-1,4-dioxo-4-(1-piperidinyl)but-2-enyl]-3-prop-2-enoxyphenoxy]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-[(E)-4-oxo-4-piperidin-1-ylbut-2-enoyl]-3-prop-2-enoxyphenoxy]acetamide Traditional Name: 2-[3-allyloxy-4-[(E)-4-keto-4-piperidino-but-2-enoyl]phenoxy]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=CC(=C1)OCC(=O)NC2=NC3=CC=CC=C3S2)C(=O)C=CC(=O)N4CCCCC4

Isomeric SMILES

C=CCOC1=C(C=CC(=C1)OCC(=O)NC2=NC3=CC=CC=C3S2)C(=O)/C=C/C(=O)N4CCCCC4

InChI

InChI=1S/C27H27N3O5S/c1-2-16-34-23-17-19(35-18-25(32)29-27-28-21-8-4-5-9-24(21)36-27)10-11-20(23)22(31)12-13-26(33)30-14-6-3-7-15-30/h2,4-5,8-13,17H,1,3,6-7,14-16,18H2,(H,28,29,32)/b13-12+