2-[4-[(Z)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-butanoic acid

Systemtic Name: 2-[4-[(Z)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-butanoic acid Openeye Name: 2-[4-[(Z)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-butanoic acid CAS Name: 2-[4-[(Z)-3-(10-ethyl-2-phenothiazinyl)but-2-enoxy]phenoxy]-2-methylbutanoic acid IUPAC Name: 2-[4-[(Z)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methylbutanoic acid Traditional Name: 2-[4-[(Z)-3-(10-ethylphenothiazin-2-yl)but-2-enoxy]phenoxy]-2-methyl-butyric acid Formula: C29H31NO4S MolecularWeight: 489.62574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)OC1=CC=C(C=C1)OCC=C(C)C2=CC3=C(C=C2)SC4=CC=CC=C4N3CC

Isomeric SMILES

CCC(C)(C(=O)O)OC1=CC=C(C=C1)OC/C=C(/C)\C2=CC3=C(C=C2)SC4=CC=CC=C4N3CC

InChI

InChI=1S/C29H31NO4S/c1-5-29(4,28(31)32)34-23-14-12-22(13-15-23)33-18-17-20(3)21-11-16-27-25(19-21)30(6-2)24-9-7-8-10-26(24)35-27/h7-17,19H,5-6,18H2,1-4H3,(H,31,32)/b20-17-